7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine

C11H20F3N — CID 79953463

IUPAC7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(CCC(F)(F)F)NCCC
InChIInChI=1S/C11H20F3N/c1-4-7-15-10(8-9(2)3)5-6-11(12,13)14/h10,15H,2,4-8H2,1,3H3
InChIKeyIMSVDCWGYGJQJJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.66
Rot. Bonds7

About 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine

7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine (PubChem CID 79953463) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine
PubChem CID79953463
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine
SMILESC=C(C)CC(CCC(F)(F)F)NCCC
InChIInChI=1S/C11H20F3N/c1-4-7-15-10(8-9(2)3)5-6-11(12,13)14/h10,15H,2,4-8H2,1,3H3
InChIKeyIMSVDCWGYGJQJJ-UHFFFAOYSA-N
XLogP3.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 23109108
N-ethyl-2-fluoro-4-methylidenecyclohexan-1-amine
CID 90694359
N-ethyl-2-fluoro-5-methylidenecyclohexan-1-amine
CID 90908188
2-fluoro-5-methylidene-N-(2-methylpropyl)cyclohexan-1-amine
CID 91047197
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451144
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine;ethane
CID 145111191

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine?
The IUPAC name of 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine (CID 79953463) is 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine is C=C(C)CC(CCC(F)(F)F)NCCC.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine?
The InChIKey is IMSVDCWGYGJQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-4-7-15-10(8-9(2)3)5-6-11(12,13)14/h10,15H,2,4-8H2,1,3H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine?
7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine has a molecular weight of 223.28 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-N-propylhept-1-en-4-amine is sourced from PubChem (CID 79953463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).