6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene

C17H14ClF3 — CID 14084887

IUPAC6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
SMILESFC(F)(F)C1(c2ccccc2)CCCc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClF3/c18-14-9-8-12-5-4-10-16(15(12)11-14,17(19,20)21)13-6-2-1-3-7-13/h1-3,6-9,11H,4-5,10H2
InChIKeyFPZYOUHBSGXFJO-UHFFFAOYSA-N
MW310.75 g/mol
LogP5.52
Rot. Bonds1

About 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene

6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene (PubChem CID 14084887) has the molecular formula C17H14ClF3 and a molecular weight of 310.75 g/mol. Its IUPAC name is 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
PubChem CID14084887
Molecular FormulaC17H14ClF3
Molecular Weight310.75 g/mol
Exact Mass310.07
IUPAC Name6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene
SMILESFC(F)(F)C1(c2ccccc2)CCCc2ccc(Cl)cc21
InChIInChI=1S/C17H14ClF3/c18-14-9-8-12-5-4-10-16(15(12)11-14,17(19,20)21)13-6-2-1-3-7-13/h1-3,6-9,11H,4-5,10H2
InChIKeyFPZYOUHBSGXFJO-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.75
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The IUPAC name of 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene (CID 14084887) is 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene is FC(F)(F)C1(c2ccccc2)CCCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
The InChIKey is FPZYOUHBSGXFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3/c18-14-9-8-12-5-4-10-16(15(12)11-14,17(19,20)21)13-6-2-1-3-7-13/h1-3,6-9,11H,4-5,10H2.
What are the key properties of 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene?
6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene has a molecular weight of 310.75 g/mol, XLogP of 5.52, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenyl-4-(trifluoromethyl)-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 14084887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).