N-(5,5,5-trifluoropentyl)hept-6-en-1-amine

C12H22F3N — CID 107007036

IUPACN-(5,5,5-trifluoropentyl)hept-6-en-1-amine
SMILESC=CCCCCCNCCCCC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-2-3-4-5-7-10-16-11-8-6-9-12(13,14)15/h2,16H,1,3-11H2
InChIKeyVWRVQRBOKCBBNF-UHFFFAOYSA-N
MW237.31 g/mol
LogP4.05
Rot. Bonds10

About N-(5,5,5-trifluoropentyl)hept-6-en-1-amine

N-(5,5,5-trifluoropentyl)hept-6-en-1-amine (PubChem CID 107007036) has the molecular formula C12H22F3N and a molecular weight of 237.31 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)hept-6-en-1-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)hept-6-en-1-amine
PubChem CID107007036
Molecular FormulaC12H22F3N
Molecular Weight237.31 g/mol
Exact Mass237.17
IUPAC NameN-(5,5,5-trifluoropentyl)hept-6-en-1-amine
SMILESC=CCCCCCNCCCCC(F)(F)F
InChIInChI=1S/C12H22F3N/c1-2-3-4-5-7-10-16-11-8-6-9-12(13,14)15/h2,16H,1,3-11H2
InChIKeyVWRVQRBOKCBBNF-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 54.05
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-(5,5,5-trifluoropentyl)hept-6-en-1-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)hept-6-en-1-amine (CID 107007036) is N-(5,5,5-trifluoropentyl)hept-6-en-1-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)hept-6-en-1-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)hept-6-en-1-amine is C=CCCCCCNCCCCC(F)(F)F.
What is the InChIKey of N-(5,5,5-trifluoropentyl)hept-6-en-1-amine?
The InChIKey is VWRVQRBOKCBBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3N/c1-2-3-4-5-7-10-16-11-8-6-9-12(13,14)15/h2,16H,1,3-11H2.
What are the key properties of N-(5,5,5-trifluoropentyl)hept-6-en-1-amine?
N-(5,5,5-trifluoropentyl)hept-6-en-1-amine has a molecular weight of 237.31 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)hept-6-en-1-amine is sourced from PubChem (CID 107007036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).