(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane

C12H17F3O — CID 164918881

IUPAC(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane
SMILESCC.Cc1cccc(C(F)(F)[C@@H](C)O)c1F
InChIInChI=1S/C10H11F3O.C2H6/c1-6-4-3-5-8(9(6)11)10(12,13)7(2)14;1-2/h3-5,7,14H,1-2H3;1-2H3/t7-;/m1./s1
InChIKeyBTMPOEQVVUGYSZ-OGFXRTJISA-N
MW234.26 g/mol
LogP3.63
Rot. Bonds2

About (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane

(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane (PubChem CID 164918881) has the molecular formula C12H17F3O and a molecular weight of 234.26 g/mol. Its IUPAC name is (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane.

Molecular Properties

Compound Name(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane
PubChem CID164918881
Molecular FormulaC12H17F3O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane
SMILESCC.Cc1cccc(C(F)(F)[C@@H](C)O)c1F
InChIInChI=1S/C10H11F3O.C2H6/c1-6-4-3-5-8(9(6)11)10(12,13)7(2)14;1-2/h3-5,7,14H,1-2H3;1-2H3/t7-;/m1./s1
InChIKeyBTMPOEQVVUGYSZ-OGFXRTJISA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane?
The IUPAC name of (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane (CID 164918881) is (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane.
What is the SMILES notation for (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane?
The canonical SMILES for (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane is CC.Cc1cccc(C(F)(F)[C@@H](C)O)c1F.
What is the InChIKey of (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane?
The InChIKey is BTMPOEQVVUGYSZ-OGFXRTJISA-N. The full InChI is InChI=1S/C10H11F3O.C2H6/c1-6-4-3-5-8(9(6)11)10(12,13)7(2)14;1-2/h3-5,7,14H,1-2H3;1-2H3/t7-;/m1./s1.
What are the key properties of (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane?
(2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane has a molecular weight of 234.26 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1-difluoro-1-(2-fluoro-3-methylphenyl)propan-2-ol;ethane is sourced from PubChem (CID 164918881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).