1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol

C16H15ClF2O — CID 114832677

IUPAC1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccccc1F)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClF2O/c1-16(20,10-12-4-2-3-5-15(12)19)9-11-6-7-13(18)8-14(11)17/h2-8,20H,9-10H2,1H3
InChIKeyXPCLLAMTBVWXNN-UHFFFAOYSA-N
MW296.74 g/mol
LogP4.15
Rot. Bonds4

About 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol

1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (PubChem CID 114832677) has the molecular formula C16H15ClF2O and a molecular weight of 296.74 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
PubChem CID114832677
Molecular FormulaC16H15ClF2O
Molecular Weight296.74 g/mol
Exact Mass296.08
IUPAC Name1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
SMILESCC(O)(Cc1ccccc1F)Cc1ccc(F)cc1Cl
InChIInChI=1S/C16H15ClF2O/c1-16(20,10-12-4-2-3-5-15(12)19)9-11-6-7-13(18)8-14(11)17/h2-8,20H,9-10H2,1H3
InChIKeyXPCLLAMTBVWXNN-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2-chloro-4-fluorophenyl)-2-methyl-3-(methylamino)propan-2-ol
CID 66039362
1-(2-chloro-4-fluorophenyl)-2-(2-chlorophenyl)propan-2-ol
CID 65145046
1-(2,4-dichlorophenyl)-3-(3-fluorophenyl)-2-methylpropan-2-ol
CID 114833275
1-(2-chloro-4-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 65146783
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(2-chloro-4-fluorophenyl)-2-(2,4-dichloro-5-fluorophenyl)propan-2-ol
CID 65146594
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
1-(2-chloro-4-fluorophenyl)-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 66037305
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
5-(2-chloro-4-fluorophenyl)-4,4-dimethylpentan-2-one
CID 64715292

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol (CID 114832677) is 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is CC(O)(Cc1ccccc1F)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
The InChIKey is XPCLLAMTBVWXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O/c1-16(20,10-12-4-2-3-5-15(12)19)9-11-6-7-13(18)8-14(11)17/h2-8,20H,9-10H2,1H3.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol?
1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol has a molecular weight of 296.74 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 114832677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).