4-ethyl-1,1,1-trifluorohexan-2-ol

C8H15F3O — CID 23293301

IUPAC4-ethyl-1,1,1-trifluorohexan-2-ol
SMILESCCC(CC)CC(O)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-6(4-2)5-7(12)8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyNADPOJFRLDKLBR-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.74
Rot. Bonds4

About 4-ethyl-1,1,1-trifluorohexan-2-ol

4-ethyl-1,1,1-trifluorohexan-2-ol (PubChem CID 23293301) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 4-ethyl-1,1,1-trifluorohexan-2-ol.

Molecular Properties

Compound Name4-ethyl-1,1,1-trifluorohexan-2-ol
PubChem CID23293301
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name4-ethyl-1,1,1-trifluorohexan-2-ol
SMILESCCC(CC)CC(O)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-6(4-2)5-7(12)8(9,10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyNADPOJFRLDKLBR-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1,1-trifluorohexan-2-ol?
The IUPAC name of 4-ethyl-1,1,1-trifluorohexan-2-ol (CID 23293301) is 4-ethyl-1,1,1-trifluorohexan-2-ol.
What is the SMILES notation for 4-ethyl-1,1,1-trifluorohexan-2-ol?
The canonical SMILES for 4-ethyl-1,1,1-trifluorohexan-2-ol is CCC(CC)CC(O)C(F)(F)F.
What is the InChIKey of 4-ethyl-1,1,1-trifluorohexan-2-ol?
The InChIKey is NADPOJFRLDKLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-3-6(4-2)5-7(12)8(9,10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of 4-ethyl-1,1,1-trifluorohexan-2-ol?
4-ethyl-1,1,1-trifluorohexan-2-ol has a molecular weight of 184.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1,1-trifluorohexan-2-ol is sourced from PubChem (CID 23293301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).