(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol

C6H11F3O — CID 88612576

IUPAC(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)[C@H](CO)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(3-10)6(7,8)9/h4-5,10H,3H2,1-2H3/t5-/m0/s1
InChIKeyVVFOABJCCYYIDH-YFKPBYRVSA-N
MW156.15 g/mol
LogP1.81
Rot. Bonds2

About (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol

(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol (PubChem CID 88612576) has the molecular formula C6H11F3O and a molecular weight of 156.15 g/mol. Its IUPAC name is (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
PubChem CID88612576
Molecular FormulaC6H11F3O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)[C@H](CO)C(F)(F)F
InChIInChI=1S/C6H11F3O/c1-4(2)5(3-10)6(7,8)9/h4-5,10H,3H2,1-2H3/t5-/m0/s1
InChIKeyVVFOABJCCYYIDH-YFKPBYRVSA-N
XLogP1.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol (CID 88612576) is (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol is CC(C)[C@H](CO)C(F)(F)F.
What is the InChIKey of (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol?
The InChIKey is VVFOABJCCYYIDH-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F3O/c1-4(2)5(3-10)6(7,8)9/h4-5,10H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol?
(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 88612576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).