1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol

C11H14F2O — CID 20684551

IUPAC1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
SMILESCc1ccc(C)c(C(O)C(C)(F)F)c1
InChIInChI=1S/C11H14F2O/c1-7-4-5-8(2)9(6-7)10(14)11(3,12)13/h4-6,10,14H,1-3H3
InChIKeyLKROAZXVUWSLHW-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.99
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol

1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol (PubChem CID 20684551) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
PubChem CID20684551
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
SMILESCc1ccc(C)c(C(O)C(C)(F)F)c1
InChIInChI=1S/C11H14F2O/c1-7-4-5-8(2)9(6-7)10(14)11(3,12)13/h4-6,10,14H,1-3H3
InChIKeyLKROAZXVUWSLHW-UHFFFAOYSA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 103310547
ethyl 3-(2,5-dimethylphenyl)-2,2-difluoro-3-hydroxypropanoate
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1-(2,5-dimethylphenyl)-4,4-dimethylpentan-1-ol
CID 65148482
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
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2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
CID 62962605
dimethylamino-(2,5-dimethylphenyl)methanol
CID 116909513
1-(2,4-dimethylphenyl)-2,2-dimethylpropan-1-ol
CID 15732089
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
2-(tert-butylamino)-1-(2,5-dimethylphenyl)ethanol
CID 62774526
1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
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1-(2,5-dimethylphenyl)-2,2,2-trifluoro-N-methylethanamine
CID 43483752

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol (CID 20684551) is 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol is Cc1ccc(C)c(C(O)C(C)(F)F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol?
The InChIKey is LKROAZXVUWSLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7-4-5-8(2)9(6-7)10(14)11(3,12)13/h4-6,10,14H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol?
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol has a molecular weight of 200.23 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 20684551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).