(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol

C9H5ClF6O — CID 95474245

IUPAC(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
SMILESOC(F)(F)[C@@](F)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H5ClF6O/c10-6-3-1-5(2-4-6)7(11,8(12,13)14)9(15,16)17/h1-4,17H/t7-/m1/s1
InChIKeyFXUSJRWPZMRZNJ-SSDOTTSWSA-N
MW278.58 g/mol
LogP3.65
Rot. Bonds2

About (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol

(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol (PubChem CID 95474245) has the molecular formula C9H5ClF6O and a molecular weight of 278.58 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
PubChem CID95474245
Molecular FormulaC9H5ClF6O
Molecular Weight278.58 g/mol
Exact Mass277.99
IUPAC Name(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
SMILESOC(F)(F)[C@@](F)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H5ClF6O/c10-6-3-1-5(2-4-6)7(11,8(12,13)14)9(15,16)17/h1-4,17H/t7-/m1/s1
InChIKeyFXUSJRWPZMRZNJ-SSDOTTSWSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 47002646
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
(2S)-2-(4-amino-3-methylphenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 124639302
2,3-bis(4-chlorophenyl)-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 160769691
1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
CID 10649896
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-pyrrol-2-yl)ethanol
CID 25192384
(2R)-2-amino-2-(4-chlorophenyl)-3,3,3-trifluoropropanoic acid
CID 131872455
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 14985084
(1R)-1-(4-chlorophenyl)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanol
CID 42624729
1-amino-1-(4-chlorophenyl)ethanol
CID 23370677
1,3-dichloro-2-(4-chlorophenyl)propan-2-ol
CID 12784612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The IUPAC name of (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol (CID 95474245) is (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol is OC(F)(F)[C@@](F)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The InChIKey is FXUSJRWPZMRZNJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H5ClF6O/c10-6-3-1-5(2-4-6)7(11,8(12,13)14)9(15,16)17/h1-4,17H/t7-/m1/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol has a molecular weight of 278.58 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol is sourced from PubChem (CID 95474245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).