1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol

C13H18F2O — CID 164919043

IUPAC1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1cccc(C(F)(F)C(C)(C)O)c1
InChIInChI=1S/C13H18F2O/c1-9(2)10-6-5-7-11(8-10)13(14,15)12(3,4)16/h5-9,16H,1-4H3
InChIKeyIMLCQVDEVNWOQU-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.67
Rot. Bonds3

About 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol

1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol (PubChem CID 164919043) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
PubChem CID164919043
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
SMILESCC(C)c1cccc(C(F)(F)C(C)(C)O)c1
InChIInChI=1S/C13H18F2O/c1-9(2)10-6-5-7-11(8-10)13(14,15)12(3,4)16/h5-9,16H,1-4H3
InChIKeyIMLCQVDEVNWOQU-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(3-propan-2-ylphenyl)phenyl]propan-2-ol
CID 170591106
1-[2,3-dimethyl-3-(3-propan-2-ylphenyl)butan-2-yl]-4-propan-2-ylbenzene
CID 56993717
1-(3-propan-2-ylphenyl)-1-(1H-pyrrol-2-yl)ethanol
CID 121230476
1,1,1,4,4,5,5,6,6,7,7,8,8,9,9,9-hexadecafluoro-2-(3-propan-2-ylphenyl)nonan-2-ol
CID 162347393
3-methyl-3-(3-propan-2-ylphenyl)butanoic acid
CID 117314732
(1S)-1-(3-tert-butylphenyl)-2,2,2-trifluoroethanamine
CID 66510224
[2-[difluoro-(3-propan-2-ylphenyl)methyl]-4,5-dimethylphenyl]methanol
CID 139592643
2-[3-(2-fluoropropan-2-yl)phenyl]propan-1-imine
CID 123187659
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-(3-butan-2-ylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23533128
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol?
The IUPAC name of 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol (CID 164919043) is 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol is CC(C)c1cccc(C(F)(F)C(C)(C)O)c1.
What is the InChIKey of 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol?
The InChIKey is IMLCQVDEVNWOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-9(2)10-6-5-7-11(8-10)13(14,15)12(3,4)16/h5-9,16H,1-4H3.
What are the key properties of 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol?
1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol has a molecular weight of 228.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 164919043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).