1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol

C11H14F2O — CID 84669441

IUPAC1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
SMILESCc1ccc(C(C)(F)F)c(C(C)O)c1
InChIInChI=1S/C11H14F2O/c1-7-4-5-10(11(3,12)13)9(6-7)8(2)14/h4-6,8,14H,1-3H3
InChIKeyFCBVRSRUAXYOJM-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.16
Rot. Bonds2

About 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol

1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol (PubChem CID 84669441) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
PubChem CID84669441
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
SMILESCc1ccc(C(C)(F)F)c(C(C)O)c1
InChIInChI=1S/C11H14F2O/c1-7-4-5-10(11(3,12)13)9(6-7)8(2)14/h4-6,8,14H,1-3H3
InChIKeyFCBVRSRUAXYOJM-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-[2-(1,1-difluoroethyl)-5-methylphenyl]acetic acid
CID 84692564
1-(2,5-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 20684551
1-(2-chloro-5-methylphenyl)ethanol;ethane
CID 143592290
1-[5-methyl-2-(3,3,3-trifluoropropoxy)phenyl]ethanol
CID 64565484
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
N-[[2-(1,1-difluoroethyl)-5-methylphenyl]methyl]hydroxylamine
CID 117289946
1-[2-(1,1-difluoroethyl)-5-methylphenyl]propan-2-one
CID 84679044
2-(2-fluoro-4-methylphenyl)propan-2-ol
CID 58514695
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanol
CID 62962605
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-(5-methyl-2-methylsulfinylphenyl)ethanol
CID 15273157

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol?
The IUPAC name of 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol (CID 84669441) is 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol.
What is the SMILES notation for 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol?
The canonical SMILES for 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol is Cc1ccc(C(C)(F)F)c(C(C)O)c1.
What is the InChIKey of 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol?
The InChIKey is FCBVRSRUAXYOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-7-4-5-10(11(3,12)13)9(6-7)8(2)14/h4-6,8,14H,1-3H3.
What are the key properties of 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol?
1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol has a molecular weight of 200.23 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol is sourced from PubChem (CID 84669441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).