(1S)-1-(3-chloro-2-fluorophenyl)ethanol

C8H8ClFO — CID 64712910

IUPAC(1S)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESC[C@H](O)c1cccc(Cl)c1F
InChIInChI=1S/C8H8ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3/t5-/m0/s1
InChIKeyQTHNHXVMPXXQSP-YFKPBYRVSA-N
MW174.60 g/mol
LogP2.53
Rot. Bonds1

About (1S)-1-(3-chloro-2-fluorophenyl)ethanol

(1S)-1-(3-chloro-2-fluorophenyl)ethanol (PubChem CID 64712910) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is (1S)-1-(3-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-chloro-2-fluorophenyl)ethanol
PubChem CID64712910
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name(1S)-1-(3-chloro-2-fluorophenyl)ethanol
SMILESC[C@H](O)c1cccc(Cl)c1F
InChIInChI=1S/C8H8ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3/t5-/m0/s1
InChIKeyQTHNHXVMPXXQSP-YFKPBYRVSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(3-chloro-2-fluorophenyl)-N-methylethanamine
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(3-chloro-2-fluorophenyl)-(2-propan-2-ylpyrazol-3-yl)methanol
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4-(3-chloro-2-fluorophenyl)-4-hydroxy-2-methylbutanoic acid
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methyl 3-(3-chloro-2-fluorophenyl)-3-hydroxy-2-methylpropanoate
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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chloro-2-fluorophenyl)ethanol?
The IUPAC name of (1S)-1-(3-chloro-2-fluorophenyl)ethanol (CID 64712910) is (1S)-1-(3-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for (1S)-1-(3-chloro-2-fluorophenyl)ethanol is C[C@H](O)c1cccc(Cl)c1F.
What is the InChIKey of (1S)-1-(3-chloro-2-fluorophenyl)ethanol?
The InChIKey is QTHNHXVMPXXQSP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8ClFO/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3-chloro-2-fluorophenyl)ethanol?
(1S)-1-(3-chloro-2-fluorophenyl)ethanol has a molecular weight of 174.60 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 64712910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).