2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan

C22H12Cl2F6O — CID 71509083

IUPAC2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan
SMILESFc1c(Cl)cc(C2(C(F)(F)F)CC(c3ccc(C(F)F)c4ccccc34)=CO2)cc1Cl
InChIInChI=1S/C22H12Cl2F6O/c23-17-7-12(8-18(24)19(17)25)21(22(28,29)30)9-11(10-31-21)13-5-6-16(20(26)27)15-4-2-1-3-14(13)15/h1-8,10,20H,9H2
InChIKeyZMQAGOPLSZRCNX-UHFFFAOYSA-N
MW477.23 g/mol
LogP8.44
Rot. Bonds3

About 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan

2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan (PubChem CID 71509083) has the molecular formula C22H12Cl2F6O and a molecular weight of 477.23 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan
PubChem CID71509083
Molecular FormulaC22H12Cl2F6O
Molecular Weight477.23 g/mol
Exact Mass476.02
IUPAC Name2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan
SMILESFc1c(Cl)cc(C2(C(F)(F)F)CC(c3ccc(C(F)F)c4ccccc34)=CO2)cc1Cl
InChIInChI=1S/C22H12Cl2F6O/c23-17-7-12(8-18(24)19(17)25)21(22(28,29)30)9-11(10-31-21)13-5-6-16(20(26)27)15-4-2-1-3-14(13)15/h1-8,10,20H,9H2
InChIKeyZMQAGOPLSZRCNX-UHFFFAOYSA-N
XLogP8.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.23
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichloro-4-fluorophenyl)-2-(difluoromethyl)-4-[4-(trifluoromethyl)naphthalen-1-yl]-3H-furan
CID 71509084
N-[[4-[5-[3,5-dichloro-4-(difluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]naphthalen-1-yl]methyl]-2,2,3,3,3-pentafluoropropanamide
CID 25255160
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[(2Z)-2-ethoxyimino-3,3,3-trifluoropropyl]naphthalene-1-carboxamide
CID 87169621
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-amine
CID 164873478
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-methoxy-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
CID 162597247
5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-1,2-oxazolidine
CID 123673594
[7-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2,3-dihydro-1H-inden-4-yl]methanol
CID 121438020
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-[(4-fluorophenyl)methoxyimino]ethyl]naphthalene-1-carboxamide
CID 123545273
6-[2-(3,4,5-trichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]spiro[1H-2-benzofuran-3,3'-azetidine]
CID 90001807
4-[(5S)-5-[3-chloro-4-fluoro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
CID 122609622
4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-1-benzothiophene-7-carboxylic acid
CID 146303343
N-[[2-chloro-4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]phenyl]methyl]-2-methylsulfanylacetamide
CID 71511848

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan?
The IUPAC name of 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan (CID 71509083) is 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan.
What is the SMILES notation for 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan?
The canonical SMILES for 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan is Fc1c(Cl)cc(C2(C(F)(F)F)CC(c3ccc(C(F)F)c4ccccc34)=CO2)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan?
The InChIKey is ZMQAGOPLSZRCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12Cl2F6O/c23-17-7-12(8-18(24)19(17)25)21(22(28,29)30)9-11(10-31-21)13-5-6-16(20(26)27)15-4-2-1-3-14(13)15/h1-8,10,20H,9H2.
What are the key properties of 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan?
2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan has a molecular weight of 477.23 g/mol, XLogP of 8.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluorophenyl)-4-[4-(difluoromethyl)naphthalen-1-yl]-2-(trifluoromethyl)-3H-furan is sourced from PubChem (CID 71509083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).