1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene

C23H21F5O — CID 139855410

IUPAC1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCCCc1ccc(-c2ccc3c(F)c(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H21F5O/c1-2-3-4-5-15-6-9-18(20(24)12-15)16-7-10-19-17(13-16)8-11-21(22(19)25)29-14-23(26,27)28/h6-13H,2-5,14H2,1H3
InChIKeyRGUBWHJCUBSXNS-UHFFFAOYSA-N
MW408.41 g/mol
LogP7.46
Rot. Bonds7

About 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene

1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene (PubChem CID 139855410) has the molecular formula C23H21F5O and a molecular weight of 408.41 g/mol. Its IUPAC name is 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene.

Molecular Properties

Compound Name1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
PubChem CID139855410
Molecular FormulaC23H21F5O
Molecular Weight408.41 g/mol
Exact Mass408.15
IUPAC Name1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene
SMILESCCCCCc1ccc(-c2ccc3c(F)c(OCC(F)(F)F)ccc3c2)c(F)c1
InChIInChI=1S/C23H21F5O/c1-2-3-4-5-15-6-9-18(20(24)12-15)16-7-10-19-17(13-16)8-11-21(22(19)25)29-14-23(26,27)28/h6-13H,2-5,14H2,1H3
InChIKeyRGUBWHJCUBSXNS-UHFFFAOYSA-N
XLogP7.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.41
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene 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

6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856403
6-(2,6-difluoro-4-pentylphenyl)-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856604
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855843
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(trifluoromethyl)naphthalene
CID 139856344
1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-2-(trifluoromethyl)naphthalene
CID 139856614
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
6-[4-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-2-fluorophenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855536
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-(4-pentoxyphenyl)naphthalene
CID 139873703
6-(4-butyl-2-fluorophenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139874635
1-fluoro-6-[2-fluoro-4-[2-(4-pentylcyclohexyl)ethynyl]phenyl]-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855938
1-fluoro-2-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6-(4-hexoxyphenyl)naphthalene
CID 139875314

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The IUPAC name of 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene (CID 139855410) is 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene.
What is the SMILES notation for 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The canonical SMILES for 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene is CCCCCc1ccc(-c2ccc3c(F)c(OCC(F)(F)F)ccc3c2)c(F)c1.
What is the InChIKey of 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
The InChIKey is RGUBWHJCUBSXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F5O/c1-2-3-4-5-15-6-9-18(20(24)12-15)16-7-10-19-17(13-16)8-11-21(22(19)25)29-14-23(26,27)28/h6-13H,2-5,14H2,1H3.
What are the key properties of 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene?
1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene has a molecular weight of 408.41 g/mol, XLogP of 7.46, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-(2-fluoro-4-pentylphenyl)-2-(2,2,2-trifluoroethoxy)naphthalene is sourced from PubChem (CID 139855410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).