3-(3-chlorophenyl)-3,3-difluoropropan-1-ol

C9H9ClF2O — CID 105459745

IUPAC3-(3-chlorophenyl)-3,3-difluoropropan-1-ol
SMILESOCCC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClF2O/c10-8-3-1-2-7(6-8)9(11,12)4-5-13/h1-3,6,13H,4-5H2
InChIKeyWJAQZIVYNVDGLD-UHFFFAOYSA-N
MW206.62 g/mol
LogP2.81
Rot. Bonds3

About 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol

3-(3-chlorophenyl)-3,3-difluoropropan-1-ol (PubChem CID 105459745) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3,3-difluoropropan-1-ol
PubChem CID105459745
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name3-(3-chlorophenyl)-3,3-difluoropropan-1-ol
SMILESOCCC(F)(F)c1cccc(Cl)c1
InChIInChI=1S/C9H9ClF2O/c10-8-3-1-2-7(6-8)9(11,12)4-5-13/h1-3,6,13H,4-5H2
InChIKeyWJAQZIVYNVDGLD-UHFFFAOYSA-N
XLogP2.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-(3-chlorophenyl)-2,2-difluoroethyl] trifluoromethanesulfonate
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1,3-bis[2-(3-chlorophenyl)-2,2-difluoroethyl]-6-hydroxypyrimidine-2,4-dione
CID 91449846
2-(3-chlorophenyl)-2-fluoropentan-1-amine
CID 112567951
(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
3-(3-chlorophenyl)-3-fluoropentanamide
CID 68878178
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-cyano-2-fluoroacetic acid
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2-(3-chlorophenyl)-2-(2-ethylbutyl)propane-1,3-diol
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol?
The IUPAC name of 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol (CID 105459745) is 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol?
The canonical SMILES for 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol is OCCC(F)(F)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol?
The InChIKey is WJAQZIVYNVDGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c10-8-3-1-2-7(6-8)9(11,12)4-5-13/h1-3,6,13H,4-5H2.
What are the key properties of 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol?
3-(3-chlorophenyl)-3,3-difluoropropan-1-ol has a molecular weight of 206.62 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3,3-difluoropropan-1-ol is sourced from PubChem (CID 105459745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).