(4R)-3,3,4-trifluoro-2-methylhexan-2-ol

C7H13F3O — CID 167713495

IUPAC(4R)-3,3,4-trifluoro-2-methylhexan-2-ol
SMILESCC[C@@H](F)C(F)(F)C(C)(C)O
InChIInChI=1S/C7H13F3O/c1-4-5(8)7(9,10)6(2,3)11/h5,11H,4H2,1-3H3/t5-/m1/s1
InChIKeyVPCIVAYWSVDRGI-RXMQYKEDSA-N
MW170.17 g/mol
LogP2.14
Rot. Bonds3

About (4R)-3,3,4-trifluoro-2-methylhexan-2-ol

(4R)-3,3,4-trifluoro-2-methylhexan-2-ol (PubChem CID 167713495) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is (4R)-3,3,4-trifluoro-2-methylhexan-2-ol.

Molecular Properties

Compound Name(4R)-3,3,4-trifluoro-2-methylhexan-2-ol
PubChem CID167713495
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name(4R)-3,3,4-trifluoro-2-methylhexan-2-ol
SMILESCC[C@@H](F)C(F)(F)C(C)(C)O
InChIInChI=1S/C7H13F3O/c1-4-5(8)7(9,10)6(2,3)11/h5,11H,4H2,1-3H3/t5-/m1/s1
InChIKeyVPCIVAYWSVDRGI-RXMQYKEDSA-N
XLogP2.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-3,3,4-trifluoro-2-methylhexan-2-ol?
The IUPAC name of (4R)-3,3,4-trifluoro-2-methylhexan-2-ol (CID 167713495) is (4R)-3,3,4-trifluoro-2-methylhexan-2-ol.
What is the SMILES notation for (4R)-3,3,4-trifluoro-2-methylhexan-2-ol?
The canonical SMILES for (4R)-3,3,4-trifluoro-2-methylhexan-2-ol is CC[C@@H](F)C(F)(F)C(C)(C)O.
What is the InChIKey of (4R)-3,3,4-trifluoro-2-methylhexan-2-ol?
The InChIKey is VPCIVAYWSVDRGI-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13F3O/c1-4-5(8)7(9,10)6(2,3)11/h5,11H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (4R)-3,3,4-trifluoro-2-methylhexan-2-ol?
(4R)-3,3,4-trifluoro-2-methylhexan-2-ol has a molecular weight of 170.17 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3,3,4-trifluoro-2-methylhexan-2-ol is sourced from PubChem (CID 167713495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).