2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol

C11H14ClFO — CID 117308713

IUPAC2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(CF)cc1Cl
InChIInChI=1S/C11H14ClFO/c1-11(2,7-14)9-4-3-8(6-13)5-10(9)12/h3-5,14H,6-7H2,1-2H3
InChIKeyITNKJSHULYOCLH-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.08
Rot. Bonds3

About 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol

2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol (PubChem CID 117308713) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
PubChem CID117308713
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(CO)c1ccc(CF)cc1Cl
InChIInChI=1S/C11H14ClFO/c1-11(2,7-14)9-4-3-8(6-13)5-10(9)12/h3-5,14H,6-7H2,1-2H3
InChIKeyITNKJSHULYOCLH-UHFFFAOYSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(fluoromethyl)-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117287926
2-(2-chloro-4-methylphenyl)-2-methylpropan-1-ol
CID 117288132
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
2-(5-chloro-4-fluoro-2-methylphenyl)-2-methylpropan-1-ol
CID 117308722
4-chloro-5-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117311601
2-(5-chloro-2,4-difluorophenyl)-2-methylpropan-1-ol
CID 117315005
2-chloro-1-fluoro-4-(fluoromethyl)benzene
CID 84651474
2-(2,5-dichloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82296791
3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
CID 117291231
6-chloro-3-(1-hydroxy-2-methylpropan-2-yl)-2-methoxyphenol
CID 117333416
2-(3-chloro-2-methylphenyl)-2-methylpropan-1-ol
CID 117288137
4-(1-hydroxy-2-methylpropan-2-yl)-3-(trifluoromethyl)phenol
CID 117339956

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol (CID 117308713) is 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol is CC(C)(CO)c1ccc(CF)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol?
The InChIKey is ITNKJSHULYOCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-11(2,7-14)9-4-3-8(6-13)5-10(9)12/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol?
2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol has a molecular weight of 216.68 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(fluoromethyl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117308713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).