3-(trifluoromethyl)nonan-1-ol

C10H19F3O — CID 14533173

IUPAC3-(trifluoromethyl)nonan-1-ol
SMILESCCCCCCC(CCO)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-2-3-4-5-6-9(7-8-14)10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyCLYWWXKGZXILGM-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.52
Rot. Bonds7

About 3-(trifluoromethyl)nonan-1-ol

3-(trifluoromethyl)nonan-1-ol (PubChem CID 14533173) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(trifluoromethyl)nonan-1-ol.

Molecular Properties

Compound Name3-(trifluoromethyl)nonan-1-ol
PubChem CID14533173
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name3-(trifluoromethyl)nonan-1-ol
SMILESCCCCCCC(CCO)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-2-3-4-5-6-9(7-8-14)10(11,12)13/h9,14H,2-8H2,1H3
InChIKeyCLYWWXKGZXILGM-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)nonan-1-ol?
The IUPAC name of 3-(trifluoromethyl)nonan-1-ol (CID 14533173) is 3-(trifluoromethyl)nonan-1-ol.
What is the SMILES notation for 3-(trifluoromethyl)nonan-1-ol?
The canonical SMILES for 3-(trifluoromethyl)nonan-1-ol is CCCCCCC(CCO)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)nonan-1-ol?
The InChIKey is CLYWWXKGZXILGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-2-3-4-5-6-9(7-8-14)10(11,12)13/h9,14H,2-8H2,1H3.
What are the key properties of 3-(trifluoromethyl)nonan-1-ol?
3-(trifluoromethyl)nonan-1-ol has a molecular weight of 212.25 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)nonan-1-ol is sourced from PubChem (CID 14533173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).