3-(trifluoromethyl)heptan-1-ol

C8H15F3O — CID 14533169

IUPAC3-(trifluoromethyl)heptan-1-ol
SMILESCCCCC(CCO)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-2-3-4-7(5-6-12)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyNTKSDNQREFVFLG-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.74
Rot. Bonds5

About 3-(trifluoromethyl)heptan-1-ol

3-(trifluoromethyl)heptan-1-ol (PubChem CID 14533169) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-(trifluoromethyl)heptan-1-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)heptan-1-ol
PubChem CID14533169
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name3-(trifluoromethyl)heptan-1-ol
SMILESCCCCC(CCO)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-2-3-4-7(5-6-12)8(9,10)11/h7,12H,2-6H2,1H3
InChIKeyNTKSDNQREFVFLG-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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 3-(trifluoromethyl)heptan-1-ol?
The IUPAC name of 3-(trifluoromethyl)heptan-1-ol (CID 14533169) is 3-(trifluoromethyl)heptan-1-ol.
What is the SMILES notation for 3-(trifluoromethyl)heptan-1-ol?
The canonical SMILES for 3-(trifluoromethyl)heptan-1-ol is CCCCC(CCO)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)heptan-1-ol?
The InChIKey is NTKSDNQREFVFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-2-3-4-7(5-6-12)8(9,10)11/h7,12H,2-6H2,1H3.
What are the key properties of 3-(trifluoromethyl)heptan-1-ol?
3-(trifluoromethyl)heptan-1-ol has a molecular weight of 184.20 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)heptan-1-ol is sourced from PubChem (CID 14533169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).