1-(4-chlorophenyl)-2,2-difluoropropan-1-ol

C9H9ClF2O — CID 131015789

IUPAC1-(4-chlorophenyl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClF2O/c1-9(11,12)8(13)6-2-4-7(10)5-3-6/h2-5,8,13H,1H3
InChIKeyJLLVJLPKKDHDEO-UHFFFAOYSA-N
MW206.62 g/mol
LogP3.03
Rot. Bonds2

About 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol

1-(4-chlorophenyl)-2,2-difluoropropan-1-ol (PubChem CID 131015789) has the molecular formula C9H9ClF2O and a molecular weight of 206.62 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2-difluoropropan-1-ol
PubChem CID131015789
Molecular FormulaC9H9ClF2O
Molecular Weight206.62 g/mol
Exact Mass206.03
IUPAC Name1-(4-chlorophenyl)-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H9ClF2O/c1-9(11,12)8(13)6-2-4-7(10)5-3-6/h2-5,8,13H,1H3
InChIKeyJLLVJLPKKDHDEO-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.62
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Phenaglycodol
CID 6617
Fenpentadiol
CID 85896
4-Chlorobenzyl alcohol
CID 13397
(1R)-3-chloro-1-phenylpropan-1-ol
CID 642409
4,4'-Dichlorobenzhydrol
CID 7033
4-Chlorobenzhydrol
CID 8401
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
p-Chlorophenethylic alcohol
CID 74647
(S)-alpha-(Trifluoromethyl)benzyl alcohol
CID 95556
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha-(trichloromethyl)benzenemethanol
CID 21417
4-Chloro-alpha-(4-chlorophenyl)-alpha-(trifluoromethyl)benzenemethanol
CID 96881

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol (CID 131015789) is 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol is CC(F)(F)C(O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol?
The InChIKey is JLLVJLPKKDHDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O/c1-9(11,12)8(13)6-2-4-7(10)5-3-6/h2-5,8,13H,1H3.
What are the key properties of 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol?
1-(4-chlorophenyl)-2,2-difluoropropan-1-ol has a molecular weight of 206.62 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 131015789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).