(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine

C8H16F2N2 — CID 88698900

IUPAC(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine
SMILESC/C(=C\C(C)N)CC(N)C(F)F
InChIInChI=1S/C8H16F2N2/c1-5(3-6(2)11)4-7(12)8(9)10/h3,6-8H,4,11-12H2,1-2H3/b5-3+
InChIKeyIERDHYBRFCDUEO-HWKANZROSA-N
MW178.23 g/mol
LogP1.26
Rot. Bonds4

About (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine

(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine (PubChem CID 88698900) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine.

Molecular Properties

Compound Name(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine
PubChem CID88698900
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine
SMILESC/C(=C\C(C)N)CC(N)C(F)F
InChIInChI=1S/C8H16F2N2/c1-5(3-6(2)11)4-7(12)8(9)10/h3,6-8H,4,11-12H2,1-2H3/b5-3+
InChIKeyIERDHYBRFCDUEO-HWKANZROSA-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

6-Methylhept-5-en-2-amine, (+-)-
CID 31179
(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride
CID 19099414
(E)-1,1-difluoro-3-methylhex-3-ene-2,5-diamine
CID 20476188
(E)-1,1-difluoro-4-methylhept-3-ene-2,5-diamine
CID 20476198
(E)-1-fluoro-4-methylhept-3-ene-2,5-diamine
CID 20476203
(E)-5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
CID 22825120
(E)-5,5-difluoro-3-methylpent-2-ene-1,4-diamine
CID 22825121
(E)-3-ethyl-5-fluoropent-2-ene-1,4-diamine
CID 22825122
(E)-6-fluoro-3-methylhex-2-ene-1,4-diamine
CID 22825129
(2R)-6-Methyl-5-hepten-2-amine
CID 46919417
1-Fluoro-4-methylhept-3-ene-2,5-diamine
CID 53738507
3-Ethyl-5-fluoropent-2-ene-1,4-diamine
CID 53970810

Frequently Asked Questions

What is the IUPAC name of (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine?
The IUPAC name of (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine (CID 88698900) is (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine.
What is the SMILES notation for (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine?
The canonical SMILES for (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine is C/C(=C\C(C)N)CC(N)C(F)F.
What is the InChIKey of (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine?
The InChIKey is IERDHYBRFCDUEO-HWKANZROSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-5(3-6(2)11)4-7(12)8(9)10/h3,6-8H,4,11-12H2,1-2H3/b5-3+.
What are the key properties of (E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine?
(E)-7,7-difluoro-4-methylhept-3-ene-2,6-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)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine is sourced from PubChem (CID 88698900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).