3-(1,1-difluoro-2-methylpropan-2-yl)phenol

C10H12F2O — CID 105442000

IUPAC3-(1,1-difluoro-2-methylpropan-2-yl)phenol
SMILESCC(C)(c1cccc(O)c1)C(F)F
InChIInChI=1S/C10H12F2O/c1-10(2,9(11)12)7-4-3-5-8(13)6-7/h3-6,9,13H,1-2H3
InChIKeyKWJABELRSHQEAL-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.93
Rot. Bonds2

About 3-(1,1-difluoro-2-methylpropan-2-yl)phenol

3-(1,1-difluoro-2-methylpropan-2-yl)phenol (PubChem CID 105442000) has the molecular formula C10H12F2O and a molecular weight of 186.20 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-methylpropan-2-yl)phenol.

Molecular Properties

Compound Name3-(1,1-difluoro-2-methylpropan-2-yl)phenol
PubChem CID105442000
Molecular FormulaC10H12F2O
Molecular Weight186.20 g/mol
Exact Mass186.09
IUPAC Name3-(1,1-difluoro-2-methylpropan-2-yl)phenol
SMILESCC(C)(c1cccc(O)c1)C(F)F
InChIInChI=1S/C10H12F2O/c1-10(2,9(11)12)7-4-3-5-8(13)6-7/h3-6,9,13H,1-2H3
InChIKeyKWJABELRSHQEAL-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042
3-(2-hydroperoxypropan-2-yl)phenol
CID 14576497
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
bis(5-methylcyclopenta-1,3-diene);bis(3-(trifluoromethyl)phenol);zirconium(2+)
CID 141004875
3-(4-amino-2,3,3-trifluorobutan-2-yl)phenol
CID 105473540
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
1-[3-(1,1-difluoro-2-methylpropan-2-yl)phenyl]cyclopropan-1-amine
CID 58902125
2-cyclopropyl-2-(3-hydroxyphenyl)propanoic acid
CID 83833276
3-[1-(4-hydroxyphenyl)-2-methylpropan-2-yl]phenol
CID 145284163
3-(2-methyl-1-methylsulfonylpropan-2-yl)phenol
CID 115036820

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-methylpropan-2-yl)phenol?
The IUPAC name of 3-(1,1-difluoro-2-methylpropan-2-yl)phenol (CID 105442000) is 3-(1,1-difluoro-2-methylpropan-2-yl)phenol.
What is the SMILES notation for 3-(1,1-difluoro-2-methylpropan-2-yl)phenol?
The canonical SMILES for 3-(1,1-difluoro-2-methylpropan-2-yl)phenol is CC(C)(c1cccc(O)c1)C(F)F.
What is the InChIKey of 3-(1,1-difluoro-2-methylpropan-2-yl)phenol?
The InChIKey is KWJABELRSHQEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O/c1-10(2,9(11)12)7-4-3-5-8(13)6-7/h3-6,9,13H,1-2H3.
What are the key properties of 3-(1,1-difluoro-2-methylpropan-2-yl)phenol?
3-(1,1-difluoro-2-methylpropan-2-yl)phenol has a molecular weight of 186.20 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-methylpropan-2-yl)phenol is sourced from PubChem (CID 105442000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).