(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol

C16H14F2O — CID 139263654

IUPAC(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
SMILESC[C@@H](O)C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2O/c1-11(19)10-16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-11,19H,1H3/t11-/m1/s1
InChIKeyGWPNFVGKMKKWOV-LLVKDONJSA-N
MW260.28 g/mol
LogP3.78
Rot. Bonds3

About (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol

(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol (PubChem CID 139263654) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
PubChem CID139263654
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
SMILESC[C@@H](O)C=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H14F2O/c1-11(19)10-16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-11,19H,1H3/t11-/m1/s1
InChIKeyGWPNFVGKMKKWOV-LLVKDONJSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R)-4,4-bis(4-fluorophenyl)but-3-en-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

(Z)-5-(4-fluorophenyl)-4-methylpent-3-en-2-ol
CID 114835346
4-fluoro-N-[(E)-2-hydroxy-6-methylhept-3-en-4-yl]benzamide
CID 142277121
1,3-bis(4-fluorophenyl)-3-hydroxy-2-methylpropan-1-one
CID 75056323
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
3,3-bis(4-fluorophenyl)prop-2-en-1-ol
CID 71352890
4,4-bis(4-fluorophenyl)but-3-enyl-propan-2-ylazanium chloride
CID 110168456
(Z,1S)-1-amino-3-chloro-3-(4-fluorophenyl)prop-2-en-1-ol
CID 97050015
1-(4-fluorophenyl)-2-methylbut-3-en-1-one
CID 10954084
1-fluoro-4-(3-methylpenta-1,4-dien-2-yl)benzene
CID 86259242
(E)-1-(4-fluorophenyl)-4-methylpent-2-en-1-one
CID 14300275
1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
CID 123675178
(NE)-N-[3,3-bis(4-fluorophenyl)prop-2-enylidene]hydroxylamine
CID 177390235

Frequently Asked Questions

What is the IUPAC name of (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol?
The IUPAC name of (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol (CID 139263654) is (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol.
What is the SMILES notation for (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol?
The canonical SMILES for (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol is C[C@@H](O)C=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol?
The InChIKey is GWPNFVGKMKKWOV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14F2O/c1-11(19)10-16(12-2-6-14(17)7-3-12)13-4-8-15(18)9-5-13/h2-11,19H,1H3/t11-/m1/s1.
What are the key properties of (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol?
(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol has a molecular weight of 260.28 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol is sourced from PubChem (CID 139263654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).