N-(trifluoromethyl)octan-1-amine

C9H18F3N — CID 146726818

IUPACN-(trifluoromethyl)octan-1-amine
SMILESCCCCCCCCNC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-2-3-4-5-6-7-8-13-9(10,11)12/h13H,2-8H2,1H3
InChIKeyAWRHLHKMZIHAFY-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.46
Rot. Bonds7

About N-(trifluoromethyl)octan-1-amine

N-(trifluoromethyl)octan-1-amine (PubChem CID 146726818) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is N-(trifluoromethyl)octan-1-amine.

Molecular Properties

Compound NameN-(trifluoromethyl)octan-1-amine
PubChem CID146726818
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC NameN-(trifluoromethyl)octan-1-amine
SMILESCCCCCCCCNC(F)(F)F
InChIInChI=1S/C9H18F3N/c1-2-3-4-5-6-7-8-13-9(10,11)12/h13H,2-8H2,1H3
InChIKeyAWRHLHKMZIHAFY-UHFFFAOYSA-N
XLogP3.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(trifluoromethyl)octan-1-amine?
The IUPAC name of N-(trifluoromethyl)octan-1-amine (CID 146726818) is N-(trifluoromethyl)octan-1-amine.
What is the SMILES notation for N-(trifluoromethyl)octan-1-amine?
The canonical SMILES for N-(trifluoromethyl)octan-1-amine is CCCCCCCCNC(F)(F)F.
What is the InChIKey of N-(trifluoromethyl)octan-1-amine?
The InChIKey is AWRHLHKMZIHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-2-3-4-5-6-7-8-13-9(10,11)12/h13H,2-8H2,1H3.
What are the key properties of N-(trifluoromethyl)octan-1-amine?
N-(trifluoromethyl)octan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trifluoromethyl)octan-1-amine is sourced from PubChem (CID 146726818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).