1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene

C16H7F5 — CID 145488519

IUPAC1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene
SMILESFc1cc(-c2c(F)cc3ccccc3c2F)cc(F)c1F
InChIInChI=1S/C16H7F5/c17-11-5-8-3-1-2-4-10(8)15(20)14(11)9-6-12(18)16(21)13(19)7-9/h1-7H
InChIKeyUKQJBUBREHGDSY-UHFFFAOYSA-N
MW294.22 g/mol
LogP5.20
Rot. Bonds1

About 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene

1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene (PubChem CID 145488519) has the molecular formula C16H7F5 and a molecular weight of 294.22 g/mol. Its IUPAC name is 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene.

Molecular Properties

Compound Name1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene
PubChem CID145488519
Molecular FormulaC16H7F5
Molecular Weight294.22 g/mol
Exact Mass294.05
IUPAC Name1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene
SMILESFc1cc(-c2c(F)cc3ccccc3c2F)cc(F)c1F
InChIInChI=1S/C16H7F5/c17-11-5-8-3-1-2-4-10(8)15(20)14(11)9-6-12(18)16(21)13(19)7-9/h1-7H
InChIKeyUKQJBUBREHGDSY-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.22
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4,5-trifluorophenyl)anthracene
CID 87425952
2,3-difluoro-N-methylnaphthalen-1-amine
CID 141091766
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
9-(3-anthracen-9-yl-5-fluorophenyl)anthracene
CID 122597790
2-(4-fluoronaphthalen-1-yl)-7-[10-(3,4,5-trifluorophenyl)anthracen-9-yl]pyrene
CID 167155226
1-fluoro-9-phenyl-10-(3,4,5-trifluorophenyl)anthracene
CID 87428590
10,16-bis[4-(3,4,5-trifluorophenyl)phenyl]spiro[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13,1'-azocan-1-ium]
CID 88960290
2,3,10-trifluorophenanthrene
CID 123296035
CID 174995783
CID 174995783
[3-(3-diphenylphosphanyl-1-fluoronaphthalen-2-yl)-4-fluoronaphthalen-2-yl]-diphenylphosphane
CID 11607115
10',16'-bis(3,4,5-trifluorophenyl)-13,13'-spirobi[13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]
CID 5095840
1-(3-fluoro-4-hydroxyphenyl)naphthalen-2-ol
CID 90766733

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene?
The IUPAC name of 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene (CID 145488519) is 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene.
What is the SMILES notation for 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene?
The canonical SMILES for 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene is Fc1cc(-c2c(F)cc3ccccc3c2F)cc(F)c1F.
What is the InChIKey of 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene?
The InChIKey is UKQJBUBREHGDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7F5/c17-11-5-8-3-1-2-4-10(8)15(20)14(11)9-6-12(18)16(21)13(19)7-9/h1-7H.
What are the key properties of 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene?
1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene has a molecular weight of 294.22 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-(3,4,5-trifluorophenyl)naphthalene is sourced from PubChem (CID 145488519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).