3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol

C10H12ClFO — CID 66059359

IUPAC3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyKFUVBYFGKHDKEI-UHFFFAOYSA-N
MW202.66 g/mol
LogP2.65
Rot. Bonds3

About 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol

3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 66059359) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
PubChem CID66059359
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)Cc1c(F)cccc1Cl
InChIInChI=1S/C10H12ClFO/c1-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3
InChIKeyKFUVBYFGKHDKEI-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 63016068
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2-(4-bromo-2-methylpentyl)-1-chloro-3-fluorobenzene
CID 64720594
5-(2-chloro-6-fluorophenyl)-4-methylpentan-2-amine
CID 64721399
3-(2-chloro-6-fluorophenyl)-N,2-dimethylpropan-1-amine
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4-(2-chloro-6-fluorophenyl)-3-methylbutanethioamide
CID 83925258
(2S)-3-(2-chloro-6-fluorophenyl)-2-methylpropanoic acid
CID 42327266
(2S)-2-[(2-chloro-6-fluorophenyl)methylamino]propan-1-ol
CID 93082589
1-(2-chloro-6-fluorophenyl)-N,3-dimethylbutan-2-amine
CID 61079503
3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)propan-1-ol
CID 79443459
1-(2-chloro-6-fluorophenyl)-4-methylpent-3-en-2-ol
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(2R)-2-[(2-chloro-6-fluorophenyl)methyl]butanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol (CID 66059359) is 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol is CC(CO)Cc1c(F)cccc1Cl.
What is the InChIKey of 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is KFUVBYFGKHDKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-7(6-13)5-8-9(11)3-2-4-10(8)12/h2-4,7,13H,5-6H2,1H3.
What are the key properties of 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol?
3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 202.66 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-6-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 66059359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).