(E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine

C8H16F2N2 — CID 88736803

IUPAC(E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine
SMILESCC/C(=C\CN)C(C)(N)C(F)F
InChIInChI=1S/C8H16F2N2/c1-3-6(4-5-11)8(2,12)7(9)10/h4,7H,3,5,11-12H2,1-2H3/b6-4+
InChIKeyPFELNRRFRXMMAA-GQCTYLIASA-N
MW178.23 g/mol
LogP1.26
Rot. Bonds4

About (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine

(E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine (PubChem CID 88736803) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine.

Molecular Properties

Compound Name(E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine
PubChem CID88736803
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name(E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine
SMILESCC/C(=C\CN)C(C)(N)C(F)F
InChIInChI=1S/C8H16F2N2/c1-3-6(4-5-11)8(2,12)7(9)10/h4,7H,3,5,11-12H2,1-2H3/b6-4+
InChIKeyPFELNRRFRXMMAA-GQCTYLIASA-N
XLogP1.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethylpent-2-en-1-amine
CID 63969670
(E)-4-amino-2-ethylbut-2-en-1-ol
CID 55284709
(E)-2-ethyl-3,3-difluorobut-1-en-1-amine
CID 167141623
3-methylpent-2-en-1-amine
CID 76997051
ethane;(E)-3-methylpent-2-en-1-amine
CID 143325002
2-ethylbut-2-ene-1,4-diamine
CID 175910887
(2E)-5-methyl-3-(trifluoromethyl)hexa-2,5-dien-1-amine
CID 163641398
(E)-3-ethyl-4,4-dimethylpent-2-ene
CID 5369078
3-ethyl-2,2-dimethylhept-3-ene
CID 54053277
(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine
CID 88698593
2,3,3-trifluoro-2-methylpropan-1-amine
CID 112565083
4-methylpent-2-ene-1,3-diamine
CID 175534446

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine?
The IUPAC name of (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine (CID 88736803) is (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine.
What is the SMILES notation for (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine?
The canonical SMILES for (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine is CC/C(=C\CN)C(C)(N)C(F)F.
What is the InChIKey of (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine?
The InChIKey is PFELNRRFRXMMAA-GQCTYLIASA-N. The full InChI is InChI=1S/C8H16F2N2/c1-3-6(4-5-11)8(2,12)7(9)10/h4,7H,3,5,11-12H2,1-2H3/b6-4+.
What are the key properties of (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine?
(E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine has a molecular weight of 178.23 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-5,5-difluoro-4-methylpent-2-ene-1,4-diamine is sourced from PubChem (CID 88736803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).