1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol

C13H18F2O — CID 80604999

IUPAC1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1ccc(C(C)(O)C(F)F)cc1
InChIInChI=1S/C13H18F2O/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,12,16H,8H2,1-3H3
InChIKeyKAQTWLXTBMXXCF-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.36
Rot. Bonds4

About 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol

1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol (PubChem CID 80604999) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
PubChem CID80604999
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol
SMILESCC(C)Cc1ccc(C(C)(O)C(F)F)cc1
InChIInChI=1S/C13H18F2O/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,12,16H,8H2,1-3H3
InChIKeyKAQTWLXTBMXXCF-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1,1-difluoropropan-2-ol
CID 80605126
2-[4-(2-methylpropyl)phenyl]butan-2-ol
CID 91656197
(2S)-2-[4-(2-methylpropyl)phenyl]pentan-2-ol
CID 97294137
N-methyl-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 82283210
methyl 3-hydroxy-3-[4-(2-methylpropyl)phenyl]-2-propan-2-ylbutanoate
CID 62395639
1-(2-iodopropan-2-yl)-4-(2-methylpropyl)benzene
CID 143199593
2,2-difluoro-2-[4-(2-methylpropyl)phenyl]acetaldehyde
CID 105465847
1-(tert-butylamino)-2-[4-(2-methylpropyl)phenyl]propan-2-ol
CID 62773408
N-ethyl-1,1,1-trifluoro-2-[4-(2-methylpropyl)phenyl]propan-2-amine
CID 66204154
1-tert-butyl-4-(2-methylpropyl)benzene;1,2,3,4,5-pentafluoro-6-(2-methylpropyl)benzene
CID 142606160
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
1-[cyclopropyl(difluoro)methyl]-4-(2-methylpropyl)benzene
CID 116841647

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The IUPAC name of 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol (CID 80604999) is 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol is CC(C)Cc1ccc(C(C)(O)C(F)F)cc1.
What is the InChIKey of 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
The InChIKey is KAQTWLXTBMXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-9(2)8-10-4-6-11(7-5-10)13(3,16)12(14)15/h4-7,9,12,16H,8H2,1-3H3.
What are the key properties of 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol?
1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol has a molecular weight of 228.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[4-(2-methylpropyl)phenyl]propan-2-ol is sourced from PubChem (CID 80604999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).