[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol

C14H13F2NO — CID 170919038

IUPAC[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol
SMILESNc1ccc(-c2ccc(CO)cc2C(F)F)cc1
InChIInChI=1S/C14H13F2NO/c15-14(16)13-7-9(8-18)1-6-12(13)10-2-4-11(17)5-3-10/h1-7,14,18H,8,17H2
InChIKeyNSRHPXFCXKRTKF-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.37
Rot. Bonds3

About [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol

[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol (PubChem CID 170919038) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol
PubChem CID170919038
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol
SMILESNc1ccc(-c2ccc(CO)cc2C(F)F)cc1
InChIInChI=1S/C14H13F2NO/c15-14(16)13-7-9(8-18)1-6-12(13)10-2-4-11(17)5-3-10/h1-7,14,18H,8,17H2
InChIKeyNSRHPXFCXKRTKF-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol?
The IUPAC name of [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol (CID 170919038) is [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol is Nc1ccc(-c2ccc(CO)cc2C(F)F)cc1.
What is the InChIKey of [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol?
The InChIKey is NSRHPXFCXKRTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c15-14(16)13-7-9(8-18)1-6-12(13)10-2-4-11(17)5-3-10/h1-7,14,18H,8,17H2.
What are the key properties of [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol?
[4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol has a molecular weight of 249.26 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)-3-(difluoromethyl)phenyl]methanol is sourced from PubChem (CID 170919038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).