N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine

C8H15F2N — CID 103516827

IUPACN-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(NCC)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-11-7(8(9)10)5-6(2)3/h7-8,11H,2,4-5H2,1,3H3
InChIKeyUTBNHFLRLSVBEY-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.20
Rot. Bonds5

About N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine

N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine (PubChem CID 103516827) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine
PubChem CID103516827
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(NCC)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-11-7(8(9)10)5-6(2)3/h7-8,11H,2,4-5H2,1,3H3
InChIKeyUTBNHFLRLSVBEY-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.20
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

1,1-Difluoro-4-methylpent-4-en-2-amine
CID 13116879
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-(trifluoromethyl)hept-5-en-2-amine
CID 121451127
(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
5-fluoro-N-methylhex-5-en-2-amine
CID 123972978
4-(Difluoromethylidene)-2-prop-1-en-2-ylpyrrolidine
CID 126653747
(E)-N-ethyl-7,7,7-trifluoro-6-methyl-4-methylidenehept-5-en-2-amine
CID 129302973
4-(Trifluoromethyl)pent-4-en-2-amine
CID 134408942

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine (CID 103516827) is N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine is C=C(C)CC(NCC)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine?
The InChIKey is UTBNHFLRLSVBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-11-7(8(9)10)5-6(2)3/h7-8,11H,2,4-5H2,1,3H3.
What are the key properties of N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine?
N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-difluoro-4-methylpent-4-en-2-amine is sourced from PubChem (CID 103516827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).