1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol

C9H7ClF4O — CID 54771882

IUPAC1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1ccc(Cl)cc1)C(F)(F)C(F)F
InChIInChI=1S/C9H7ClF4O/c10-6-3-1-5(2-4-6)7(15)9(13,14)8(11)12/h1-4,7-8,15H
InChIKeyJDGIBSUEXQYJBP-UHFFFAOYSA-N
MW242.60 g/mol
LogP3.27
Rot. Bonds3

About 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol

1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol (PubChem CID 54771882) has the molecular formula C9H7ClF4O and a molecular weight of 242.60 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
PubChem CID54771882
Molecular FormulaC9H7ClF4O
Molecular Weight242.60 g/mol
Exact Mass242.01
IUPAC Name1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
SMILESOC(c1ccc(Cl)cc1)C(F)(F)C(F)F
InChIInChI=1S/C9H7ClF4O/c10-6-3-1-5(2-4-6)7(15)9(13,14)8(11)12/h1-4,7-8,15H
InChIKeyJDGIBSUEXQYJBP-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-bromo-2,2,3,3-tetrafluoropropyl)-4-chlorobenzene
CID 79660642
(4-chlorophenyl)-fluoromethanol
CID 174952192
(1S)-1-(4-chlorophenyl)-2,2-dimethylpropan-1-ol
CID 58172166
(2R,3R)-3-amino-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 131607985
1-(2-chloro-4,5-difluorophenyl)-2,2,3,3-tetrafluoropropan-1-ol
CID 107477207
(1R)-2,2,2-trifluoro-1-[4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]ethanol
CID 129388575
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1-(4-chlorophenyl)-2-ethylbutane-1,2-diol
CID 103449208
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522
2,2-difluoro-1,3-bis(4-phenylphenyl)propane-1,3-diol
CID 10319715
1-(4-chlorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103309498
1-chloro-4-(3,3,3-trifluoro-1-iodopropyl)benzene
CID 102144336

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol (CID 54771882) is 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol is OC(c1ccc(Cl)cc1)C(F)(F)C(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
The InChIKey is JDGIBSUEXQYJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4O/c10-6-3-1-5(2-4-6)7(15)9(13,14)8(11)12/h1-4,7-8,15H.
What are the key properties of 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol?
1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol has a molecular weight of 242.60 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,3,3-tetrafluoropropan-1-ol is sourced from PubChem (CID 54771882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).