1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol

C9H8F4O — CID 112575615

IUPAC1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
SMILESCc1ccc(F)c(C(O)C(F)F)c1F
InChIInChI=1S/C9H8F4O/c1-4-2-3-5(10)6(7(4)11)8(14)9(12)13/h2-3,8-9,14H,1H3
InChIKeyBTILZEALUNZSTB-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.57
Rot. Bonds2

About 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol

1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol (PubChem CID 112575615) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
PubChem CID112575615
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
SMILESCc1ccc(F)c(C(O)C(F)F)c1F
InChIInChI=1S/C9H8F4O/c1-4-2-3-5(10)6(7(4)11)8(14)9(12)13/h2-3,8-9,14H,1H3
InChIKeyBTILZEALUNZSTB-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
(1S,2S)-1-amino-1-(2,6-difluoro-3-methylphenyl)propan-2-ol
CID 130691397
(1S)-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171249742
1-(2,6-difluoro-3-methylphenyl)-2,2-diethoxyethanol
CID 82822285
(2,6-difluoro-3-methylphenyl)-(2,6-difluorophenyl)methanol
CID 82820156
(1S,2R)-1-amino-1-(2,6-difluoro-3-methylphenyl)-3-methylbutan-2-ol
CID 131531644
1-(2,6-difluoro-3-methylphenyl)-4-methoxy-2-methylbutan-1-ol
CID 115836226
1-(2,6-difluoro-3-methylphenyl)prop-2-en-1-ol
CID 115814951
1-(2,6-difluoro-3-methylphenyl)-2-methylprop-2-en-1-ol
CID 115817481
bis(2,6-difluoro-3-methylphenyl)methanamine
CID 105027229
2-chloro-1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575388
(2,6-difluoro-3-methylphenyl)-(4-fluorophenyl)methanol
CID 82815798

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol (CID 112575615) is 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol is Cc1ccc(F)c(C(O)C(F)F)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol?
The InChIKey is BTILZEALUNZSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-4-2-3-5(10)6(7(4)11)8(14)9(12)13/h2-3,8-9,14H,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol?
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol has a molecular weight of 208.15 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol is sourced from PubChem (CID 112575615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).