2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol

C12H16F2O — CID 116992678

IUPAC2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
SMILESCC(C)C(F)(F)c1cccc(CCO)c1
InChIInChI=1S/C12H16F2O/c1-9(2)12(13,14)11-5-3-4-10(8-11)6-7-15/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyOEHYGHDYUKQUMC-UHFFFAOYSA-N
MW214.25 g/mol
LogP2.97
Rot. Bonds4

About 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol

2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol (PubChem CID 116992678) has the molecular formula C12H16F2O and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
PubChem CID116992678
Molecular FormulaC12H16F2O
Molecular Weight214.25 g/mol
Exact Mass214.12
IUPAC Name2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
SMILESCC(C)C(F)(F)c1cccc(CCO)c1
InChIInChI=1S/C12H16F2O/c1-9(2)12(13,14)11-5-3-4-10(8-11)6-7-15/h3-5,8-9,15H,6-7H2,1-2H3
InChIKeyOEHYGHDYUKQUMC-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(1,1-difluoro-2-methylpropyl)phenyl]-2-methylbutan-2-amine
CID 116992656
3-[3-(1,1-difluoro-2-methylpropyl)phenyl]-N-methylpropan-1-amine
CID 116992650
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]butan-1-ol
CID 116992734
2-amino-2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992715
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
3-(1,1-difluoro-2-methylpropyl)benzoic acid
CID 83855998
2-amino-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol
CID 116992716
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]propan-1-amine
CID 116992645
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
1-(1,1-difluoro-2-methylpropyl)-3-methoxybenzene
CID 116841485
3-[3-(2-hydroxyethyl)phenyl]-2-methylpropanoic acid
CID 115112810
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol (CID 116992678) is 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol is CC(C)C(F)(F)c1cccc(CCO)c1.
What is the InChIKey of 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
The InChIKey is OEHYGHDYUKQUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O/c1-9(2)12(13,14)11-5-3-4-10(8-11)6-7-15/h3-5,8-9,15H,6-7H2,1-2H3.
What are the key properties of 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol?
2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol has a molecular weight of 214.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 116992678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).