1,2-bis(3-fluorophenyl)butan-2-ol

C16H16F2O — CID 114872358

IUPAC1,2-bis(3-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H16F2O/c1-2-16(19,13-6-4-8-15(18)10-13)11-12-5-3-7-14(17)9-12/h3-10,19H,2,11H2,1H3
InChIKeyUZLKYEKYPPIZBX-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.81
Rot. Bonds4

About 1,2-bis(3-fluorophenyl)butan-2-ol

1,2-bis(3-fluorophenyl)butan-2-ol (PubChem CID 114872358) has the molecular formula C16H16F2O and a molecular weight of 262.30 g/mol. Its IUPAC name is 1,2-bis(3-fluorophenyl)butan-2-ol.

Molecular Properties

Compound Name1,2-bis(3-fluorophenyl)butan-2-ol
PubChem CID114872358
Molecular FormulaC16H16F2O
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name1,2-bis(3-fluorophenyl)butan-2-ol
SMILESCCC(O)(Cc1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C16H16F2O/c1-2-16(19,13-6-4-8-15(18)10-13)11-12-5-3-7-14(17)9-12/h3-10,19H,2,11H2,1H3
InChIKeyUZLKYEKYPPIZBX-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2-bis(3-fluorophenyl)butan-2-ol 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

CID 59612023
CID 59612023
1-(5-ethyl-2-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872587
2-phenyl-1-[3-(trifluoromethyl)phenyl]butan-2-ol
CID 65146789
3-(3-fluorophenyl)oct-6-yn-3-ol
CID 114872593
3-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114872328
2-(3,4-difluorophenyl)-1-phenylbutan-2-ol
CID 79008246
4-(dimethylamino)-2-(3-fluorophenyl)-1-phenylbutan-2-ol
CID 143922823
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
1-(2-ethyl-1,2,4-triazol-3-yl)-2-(3-fluorophenyl)butan-2-ol
CID 114872482
1-(3-chloro-4-pyridinyl)-2-(3-fluorophenyl)butan-2-ol
CID 114872585
3-(3-propylphenyl)pentan-3-ol
CID 116542305

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-fluorophenyl)butan-2-ol?
The IUPAC name of 1,2-bis(3-fluorophenyl)butan-2-ol (CID 114872358) is 1,2-bis(3-fluorophenyl)butan-2-ol.
What is the SMILES notation for 1,2-bis(3-fluorophenyl)butan-2-ol?
The canonical SMILES for 1,2-bis(3-fluorophenyl)butan-2-ol is CCC(O)(Cc1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 1,2-bis(3-fluorophenyl)butan-2-ol?
The InChIKey is UZLKYEKYPPIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O/c1-2-16(19,13-6-4-8-15(18)10-13)11-12-5-3-7-14(17)9-12/h3-10,19H,2,11H2,1H3.
What are the key properties of 1,2-bis(3-fluorophenyl)butan-2-ol?
1,2-bis(3-fluorophenyl)butan-2-ol has a molecular weight of 262.30 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-fluorophenyl)butan-2-ol is sourced from PubChem (CID 114872358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).