N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine

C8H15F2N — CID 103516830

IUPACN-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-11-7(8(9)10)5-6(2)3/h5,7-8,11H,4H2,1-3H3
InChIKeyURSAYKBPCSEVNZ-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.20
Rot. Bonds4

About N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine

N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine (PubChem CID 103516830) 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-3-en-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine
PubChem CID103516830
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine
SMILESCCNC(C=C(C)C)C(F)F
InChIInChI=1S/C8H15F2N/c1-4-11-7(8(9)10)5-6(2)3/h5,7-8,11H,4H2,1-3H3
InChIKeyURSAYKBPCSEVNZ-UHFFFAOYSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(E)-1,1-difluoro-3-methylhex-3-ene-2,5-diamine
CID 20476188
(E)-5,5-difluoro-3-methylpent-2-ene-1,4-diamine
CID 22825121
5,5-Difluoro-3-methylpent-2-ene-1,4-diamine
CID 54087168
1,1-Difluoro-3-methylhex-3-ene-2,5-diamine
CID 54193490
5,5-Difluoro-2-methylpent-2-ene-1,4-diamine
CID 54357721
(E)-6,6-difluoro-4-methylhex-3-ene-1,5-diamine
CID 88698851
(E)-5,5-difluoro-2-methylpent-2-ene-1,4-diamine
CID 88698859
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
8,8,8-trifluoro-N,7-dimethyl-5-(trifluoromethyl)octa-3,5-dien-2-amine
CID 91460499
4-Methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118357415
(E)-5,5,5-trifluoro-4-methylpent-3-en-2-amine
CID 118395144
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine?
The IUPAC name of N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine (CID 103516830) is N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine.
What is the SMILES notation for N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine?
The canonical SMILES for N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine is CCNC(C=C(C)C)C(F)F.
What is the InChIKey of N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine?
The InChIKey is URSAYKBPCSEVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-11-7(8(9)10)5-6(2)3/h5,7-8,11H,4H2,1-3H3.
What are the key properties of N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine?
N-ethyl-1,1-difluoro-4-methylpent-3-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.20, 4 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-3-en-2-amine is sourced from PubChem (CID 103516830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).