(2R)-3-ethyl-1,1,1-trifluoropentan-2-ol

C7H13F3O — CID 18396347

IUPAC(2R)-3-ethyl-1,1,1-trifluoropentan-2-ol
SMILESCCC(CC)[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-5(4-2)6(11)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyZNVXSKNYFUAYMS-ZCFIWIBFSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds3

About (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol

(2R)-3-ethyl-1,1,1-trifluoropentan-2-ol (PubChem CID 18396347) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name(2R)-3-ethyl-1,1,1-trifluoropentan-2-ol
PubChem CID18396347
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name(2R)-3-ethyl-1,1,1-trifluoropentan-2-ol
SMILESCCC(CC)[C@@H](O)C(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-5(4-2)6(11)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyZNVXSKNYFUAYMS-ZCFIWIBFSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol?
The IUPAC name of (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol (CID 18396347) is (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol is CCC(CC)[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol?
The InChIKey is ZNVXSKNYFUAYMS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-5(4-2)6(11)7(8,9)10/h5-6,11H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol?
(2R)-3-ethyl-1,1,1-trifluoropentan-2-ol has a molecular weight of 170.17 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-ethyl-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 18396347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).