3,3-bis(4-fluorophenyl)prop-2-en-1-ol

C15H12F2O — CID 71352890

IUPAC3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SMILESOCC=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12F2O/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-9,18H,10H2
InChIKeyCMINDTKCHNLDLW-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.39
Rot. Bonds3

About 3,3-bis(4-fluorophenyl)prop-2-en-1-ol

3,3-bis(4-fluorophenyl)prop-2-en-1-ol (PubChem CID 71352890) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 3,3-bis(4-fluorophenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name3,3-bis(4-fluorophenyl)prop-2-en-1-ol
PubChem CID71352890
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name3,3-bis(4-fluorophenyl)prop-2-en-1-ol
SMILESOCC=C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H12F2O/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-9,18H,10H2
InChIKeyCMINDTKCHNLDLW-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(Z)-3-(4-fluorophenyl)-3-(4-iodophenyl)prop-2-en-1-ol
CID 141177290
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 68849939
(E)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine
CID 6538063
1-(4-bromo-1-phenylbut-1-enyl)-4-fluorobenzene
CID 57258475
(Z)-3-(4-bromophenyl)-3-phenylprop-2-en-1-ol
CID 22270289
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
(Z)-3-(4-fluorophenyl)-N,N-dimethyl-3-phenylprop-2-en-1-amine;hydrochloride
CID 21116502
(E)-3-(4-iodophenyl)-3-(4-methylphenyl)prop-2-en-1-ol
CID 67145582
3-(4-fluorophenyl)-5-trimethylsilylpent-2-en-4-yn-1-ol
CID 73448051
4,4-bis(4-fluorophenyl)but-3-enyl-propan-2-ylazanium chloride
CID 110168456
4,4-bis(4-fluorophenyl)but-3-enyl-tert-butylazanium;chloride;hydrate
CID 110168444

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The IUPAC name of 3,3-bis(4-fluorophenyl)prop-2-en-1-ol (CID 71352890) is 3,3-bis(4-fluorophenyl)prop-2-en-1-ol.
What is the SMILES notation for 3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The canonical SMILES for 3,3-bis(4-fluorophenyl)prop-2-en-1-ol is OCC=C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
The InChIKey is CMINDTKCHNLDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c16-13-5-1-11(2-6-13)15(9-10-18)12-3-7-14(17)8-4-12/h1-9,18H,10H2.
What are the key properties of 3,3-bis(4-fluorophenyl)prop-2-en-1-ol?
3,3-bis(4-fluorophenyl)prop-2-en-1-ol has a molecular weight of 246.26 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(4-fluorophenyl)prop-2-en-1-ol is sourced from PubChem (CID 71352890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).