N-(2,2,2-trifluoroethyl)hept-6-en-1-amine

C9H16F3N — CID 107006520

IUPACN-(2,2,2-trifluoroethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-3-4-5-6-7-13-8-9(10,11)12/h2,13H,1,3-8H2
InChIKeyCOHIOXYBIISSJH-UHFFFAOYSA-N
MW195.23 g/mol
LogP2.88
Rot. Bonds7

About N-(2,2,2-trifluoroethyl)hept-6-en-1-amine

N-(2,2,2-trifluoroethyl)hept-6-en-1-amine (PubChem CID 107006520) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)hept-6-en-1-amine
PubChem CID107006520
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC NameN-(2,2,2-trifluoroethyl)hept-6-en-1-amine
SMILESC=CCCCCCNCC(F)(F)F
InChIInChI=1S/C9H16F3N/c1-2-3-4-5-6-7-13-8-9(10,11)12/h2,13H,1,3-8H2
InChIKeyCOHIOXYBIISSJH-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Allylhex-5-en-1-amine
CID 11116144
(Hex-5-en-1-yl)(propyl)amine
CID 12397191
N-(trifluoromethyl)pent-4-en-1-amine
CID 139822404
1,1,1-trifluoro-N-(3-methylbutan-2-yl)oct-7-en-2-amine
CID 156093459
N-[(3,3-difluorocyclobutyl)methyl]pent-4-en-1-amine
CID 163239347
N-but-3-enyl-4,4-difluorocyclohexan-1-amine
CID 169136884
2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine
CID 174191833
4,4-difluoro-N-hex-5-enylcyclohexan-1-amine
CID 176410461
N-but-3-enylhex-5-en-1-amine
CID 85905358
1,1,1-trifluoro-N-propylhex-5-en-3-amine
CID 61392641
1,1,1-trifluoro-N-propylhept-6-en-3-amine
CID 64297000
1,1,1-trifluoro-N-methyloct-7-en-3-amine
CID 64300205

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)hept-6-en-1-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)hept-6-en-1-amine (CID 107006520) is N-(2,2,2-trifluoroethyl)hept-6-en-1-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)hept-6-en-1-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)hept-6-en-1-amine is C=CCCCCCNCC(F)(F)F.
What is the InChIKey of N-(2,2,2-trifluoroethyl)hept-6-en-1-amine?
The InChIKey is COHIOXYBIISSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-2-3-4-5-6-7-13-8-9(10,11)12/h2,13H,1,3-8H2.
What are the key properties of N-(2,2,2-trifluoroethyl)hept-6-en-1-amine?
N-(2,2,2-trifluoroethyl)hept-6-en-1-amine has a molecular weight of 195.23 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)hept-6-en-1-amine is sourced from PubChem (CID 107006520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).