4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol

C11H14ClFO — CID 82471705

IUPAC4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFO/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyRICAHQYDRQABMD-UHFFFAOYSA-N
MW216.68 g/mol
LogP3.18
Rot. Bonds3

About 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol

4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol (PubChem CID 82471705) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
PubChem CID82471705
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCc1cc(Cl)ccc1F
InChIInChI=1S/C11H14ClFO/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-4,7,14H,5-6H2,1-2H3
InChIKeyRICAHQYDRQABMD-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(5-chloro-2-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 96662686
4-(3-chloro-4-fluorophenyl)-2-methylbutan-2-ol
CID 82471704
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-ol
CID 103049445
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
2-(5-chloro-2-fluorophenyl)ethanamine
CID 53403693
3-(5-chloro-2-fluorophenyl)-2-hydroxy-2-methylpropanal
CID 103047679
1-(5-chloro-2-fluorophenyl)-2-(4-fluorophenyl)propan-2-ol
CID 103047472
4-chloro-2-(4-chloro-5,5-dimethylhexyl)-1-fluorobenzene
CID 103050556
N-[(5-chloro-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178864
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
4-chloro-2-[3-chloro-2-(chloromethyl)-2-methylpropyl]-1-fluorobenzene
CID 103051481
N-[(5-chloro-2-fluorophenyl)methyl]-2-methylpropan-2-amine
CID 60984555

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol (CID 82471705) is 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol is CC(C)(O)CCc1cc(Cl)ccc1F.
What is the InChIKey of 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol?
The InChIKey is RICAHQYDRQABMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-11(2,14)6-5-8-7-9(12)3-4-10(8)13/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol?
4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol has a molecular weight of 216.68 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 82471705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).