3-ethyl-1,1,1-trifluoropentan-2-ol

C7H13F3O — CID 19598547

IUPAC3-ethyl-1,1,1-trifluoropentan-2-ol
SMILESCCC(CC)C(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
InChIKeyZNVXSKNYFUAYMS-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.35
Rot. Bonds3

About 3-ethyl-1,1,1-trifluoropentan-2-ol

3-ethyl-1,1,1-trifluoropentan-2-ol (PubChem CID 19598547) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-ethyl-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1,1,1-trifluoropentan-2-ol
PubChem CID19598547
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name3-ethyl-1,1,1-trifluoropentan-2-ol
SMILESCCC(CC)C(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
InChIKeyZNVXSKNYFUAYMS-UHFFFAOYSA-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 3-ethyl-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-ethyl-1,1,1-trifluoropentan-2-ol (CID 19598547) is 3-ethyl-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-ethyl-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-ethyl-1,1,1-trifluoropentan-2-ol is CCC(CC)C(O)C(F)(F)F.
What is the InChIKey of 3-ethyl-1,1,1-trifluoropentan-2-ol?
The InChIKey is ZNVXSKNYFUAYMS-UHFFFAOYSA-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.
What are the key properties of 3-ethyl-1,1,1-trifluoropentan-2-ol?
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 3-ethyl-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 19598547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).