(1S)-1-(4-chlorophenyl)-1-fluoroethanol

C8H8ClFO — CID 175477652

IUPAC(1S)-1-(4-chlorophenyl)-1-fluoroethanol
SMILESC[C@](O)(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClFO/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,11H,1H3/t8-/m1/s1
InChIKeyHGWVFQDHIKPIPD-MRVPVSSYSA-N
MW174.60 g/mol
LogP2.47
Rot. Bonds1

About (1S)-1-(4-chlorophenyl)-1-fluoroethanol

(1S)-1-(4-chlorophenyl)-1-fluoroethanol (PubChem CID 175477652) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is (1S)-1-(4-chlorophenyl)-1-fluoroethanol.

Molecular Properties

Compound Name(1S)-1-(4-chlorophenyl)-1-fluoroethanol
PubChem CID175477652
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name(1S)-1-(4-chlorophenyl)-1-fluoroethanol
SMILESC[C@](O)(F)c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClFO/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,11H,1H3/t8-/m1/s1
InChIKeyHGWVFQDHIKPIPD-MRVPVSSYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

chloromethane;1-chloro-4-(trifluoromethyl)benzene
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1-amino-1-(4-chlorophenyl)ethanol
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(3R)-3-(4-chlorophenyl)-3-fluorobutan-2-one
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(1S)-1-(3-chlorophenyl)-1-fluoroethanol
CID 175477647
bis(1-tert-butyl-4-chlorobenzene);hydrate
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2-(4-chlorophenyl)-1,1-dimethoxypropan-2-ol
CID 66039095
2-(4-chlorophenyl)pentan-2-ol
CID 23555553
1-(4-chlorophenyl)-1-(4-methylphenyl)ethanol
CID 60794087
(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 95474245
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorophenyl)-1-fluoroethanol?
The IUPAC name of (1S)-1-(4-chlorophenyl)-1-fluoroethanol (CID 175477652) is (1S)-1-(4-chlorophenyl)-1-fluoroethanol.
What is the SMILES notation for (1S)-1-(4-chlorophenyl)-1-fluoroethanol?
The canonical SMILES for (1S)-1-(4-chlorophenyl)-1-fluoroethanol is C[C@](O)(F)c1ccc(Cl)cc1.
What is the InChIKey of (1S)-1-(4-chlorophenyl)-1-fluoroethanol?
The InChIKey is HGWVFQDHIKPIPD-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-8(10,11)6-2-4-7(9)5-3-6/h2-5,11H,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(4-chlorophenyl)-1-fluoroethanol?
(1S)-1-(4-chlorophenyl)-1-fluoroethanol has a molecular weight of 174.60 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorophenyl)-1-fluoroethanol is sourced from PubChem (CID 175477652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).