1,1-difluorohept-3-ene-2,5-diamine

C7H14F2N2 — CID 54131887

IUPAC1,1-difluorohept-3-ene-2,5-diamine
SMILESCCC(N)C=CC(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-2-5(10)3-4-6(11)7(8)9/h3-7H,2,10-11H2,1H3
InChIKeyNUYITAUNROHAMF-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.87
Rot. Bonds4

About 1,1-difluorohept-3-ene-2,5-diamine

1,1-difluorohept-3-ene-2,5-diamine (PubChem CID 54131887) has the molecular formula C7H14F2N2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,1-difluorohept-3-ene-2,5-diamine.

Molecular Properties

Compound Name1,1-difluorohept-3-ene-2,5-diamine
PubChem CID54131887
Molecular FormulaC7H14F2N2
Molecular Weight164.20 g/mol
Exact Mass164.11
IUPAC Name1,1-difluorohept-3-ene-2,5-diamine
SMILESCCC(N)C=CC(N)C(F)F
InChIInChI=1S/C7H14F2N2/c1-2-5(10)3-4-6(11)7(8)9/h3-7H,2,10-11H2,1H3
InChIKeyNUYITAUNROHAMF-UHFFFAOYSA-N
XLogP0.87
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.87
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

1-fluorohept-3-ene-2,5-diamine
CID 54476360
1-fluoropropan-1-amine
CID 18761775
non-4-en-3-amine
CID 123679589
(3Z)-5-aminohepta-1,3-dien-2-ol
CID 147712752
1-fluoropropan-1-amine;hydrochloride
CID 173116737
(E)-2-ethyl-5,5-difluoropent-2-ene-1,4-diamine
CID 88699192
(E)-1-(4-methylphenyl)pent-1-en-3-amine
CID 10583398
3,6-dimethyloct-4-ene
CID 73165576
(Z,3S,6S)-2,7-dimethyloct-4-ene-3,6-diamine
CID 101163776
5-ethylhept-4-en-3-amine;hydrochloride
CID 173326554
1,1-difluoropentan-3-amine
CID 62581791
2-aminobutanal;ethoxyethane
CID 174799837

Frequently Asked Questions

What is the IUPAC name of 1,1-difluorohept-3-ene-2,5-diamine?
The IUPAC name of 1,1-difluorohept-3-ene-2,5-diamine (CID 54131887) is 1,1-difluorohept-3-ene-2,5-diamine.
What is the SMILES notation for 1,1-difluorohept-3-ene-2,5-diamine?
The canonical SMILES for 1,1-difluorohept-3-ene-2,5-diamine is CCC(N)C=CC(N)C(F)F.
What is the InChIKey of 1,1-difluorohept-3-ene-2,5-diamine?
The InChIKey is NUYITAUNROHAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2/c1-2-5(10)3-4-6(11)7(8)9/h3-7H,2,10-11H2,1H3.
What are the key properties of 1,1-difluorohept-3-ene-2,5-diamine?
1,1-difluorohept-3-ene-2,5-diamine has a molecular weight of 164.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluorohept-3-ene-2,5-diamine is sourced from PubChem (CID 54131887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).