2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol

C18H10F6O — CID 57017238

IUPAC2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol
SMILESOc1c(-c2ccccc2)c(C(F)(F)F)cc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H10F6O/c19-17(20,21)13-8-4-7-11-12(13)9-14(18(22,23)24)15(16(11)25)10-5-2-1-3-6-10/h1-9,25H
InChIKeyRCTRVKPZSPFQOM-UHFFFAOYSA-N
MW356.27 g/mol
LogP6.25
Rot. Bonds1

About 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol

2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol (PubChem CID 57017238) has the molecular formula C18H10F6O and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol
PubChem CID57017238
Molecular FormulaC18H10F6O
Molecular Weight356.27 g/mol
Exact Mass356.06
IUPAC Name2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol
SMILESOc1c(-c2ccccc2)c(C(F)(F)F)cc2c(C(F)(F)F)cccc12
InChIInChI=1S/C18H10F6O/c19-17(20,21)13-8-4-7-11-12(13)9-14(18(22,23)24)15(16(11)25)10-5-2-1-3-6-10/h1-9,25H
InChIKeyRCTRVKPZSPFQOM-UHFFFAOYSA-N
XLogP6.25
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.27
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol 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 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol?
The IUPAC name of 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol (CID 57017238) is 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol.
What is the SMILES notation for 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol?
The canonical SMILES for 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol is Oc1c(-c2ccccc2)c(C(F)(F)F)cc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol?
The InChIKey is RCTRVKPZSPFQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6O/c19-17(20,21)13-8-4-7-11-12(13)9-14(18(22,23)24)15(16(11)25)10-5-2-1-3-6-10/h1-9,25H.
What are the key properties of 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol?
2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol has a molecular weight of 356.27 g/mol, XLogP of 6.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3,5-bis(trifluoromethyl)naphthalen-1-ol is sourced from PubChem (CID 57017238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).