3-(trifluoromethyl)octan-1-amine

C9H18F3N — CID 82534819

IUPAC3-(trifluoromethyl)octan-1-amine
SMILESCCCCCC(CCN)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-2-3-4-5-8(6-7-13)9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyOLNPAFAEQRDQAX-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.09
Rot. Bonds6

About 3-(trifluoromethyl)octan-1-amine

3-(trifluoromethyl)octan-1-amine (PubChem CID 82534819) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)octan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethyl)octan-1-amine
PubChem CID82534819
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name3-(trifluoromethyl)octan-1-amine
SMILESCCCCCC(CCN)C(F)(F)F
InChIInChI=1S/C9H18F3N/c1-2-3-4-5-8(6-7-13)9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyOLNPAFAEQRDQAX-UHFFFAOYSA-N
XLogP3.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.09
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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Related Compounds

Tridecylamine, branched and linear
CID 22833454
Isononanamine
CID 119716
2-Butyl-n-octan-1-amine
CID 18673284
Medelamine A
CID 10353173
1-(4,4-Difluorocyclohexyl)ethan-1-amine
CID 21016048
2-Propylheptan-1-amine
CID 21267775
3,7-Dimethyloctan-1-amine hydrochloride
CID 85854361
2-(4,4-Difluorocyclohexyl)ethan-1-amine hydrochloride
CID 105452554
Medelamine B
CID 10443740
Isodecylamine
CID 102090
1,10-Diamino-3-trifluoromethyl-3,4,4,5,5,6,6,7,7,8,8-undecafluorodecane
CID 10252560
3,7-Dimethyloctan-1-amine
CID 13492945

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)octan-1-amine?
The IUPAC name of 3-(trifluoromethyl)octan-1-amine (CID 82534819) is 3-(trifluoromethyl)octan-1-amine.
What is the SMILES notation for 3-(trifluoromethyl)octan-1-amine?
The canonical SMILES for 3-(trifluoromethyl)octan-1-amine is CCCCCC(CCN)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)octan-1-amine?
The InChIKey is OLNPAFAEQRDQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-2-3-4-5-8(6-7-13)9(10,11)12/h8H,2-7,13H2,1H3.
What are the key properties of 3-(trifluoromethyl)octan-1-amine?
3-(trifluoromethyl)octan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)octan-1-amine is sourced from PubChem (CID 82534819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).