1,1-difluoro-N,4-dimethylpent-3-en-2-amine

C7H13F2N — CID 103516832

IUPAC1,1-difluoro-N,4-dimethylpent-3-en-2-amine
SMILESCNC(C=C(C)C)C(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)4-6(10-3)7(8)9/h4,6-7,10H,1-3H3
InChIKeyHNIAQMFJKWRYES-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.81
Rot. Bonds3

About 1,1-difluoro-N,4-dimethylpent-3-en-2-amine

1,1-difluoro-N,4-dimethylpent-3-en-2-amine (PubChem CID 103516832) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1,1-difluoro-N,4-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N,4-dimethylpent-3-en-2-amine
PubChem CID103516832
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1,1-difluoro-N,4-dimethylpent-3-en-2-amine
SMILESCNC(C=C(C)C)C(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)4-6(10-3)7(8)9/h4,6-7,10H,1-3H3
InChIKeyHNIAQMFJKWRYES-UHFFFAOYSA-N
XLogP1.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.81
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)-5-fluoro-2-methylpent-2-ene-1,4-diamine
CID 13109093
(E)-1,1-difluoro-3-methylhex-3-ene-2,5-diamine
CID 20476188
(E)-1-fluoro-4-methylhex-3-ene-2,5-diamine
CID 20476210
(E)-5-fluoro-3-methylpent-2-ene-1,4-diamine
CID 22825119
(E)-5,5-difluoro-3-methylpent-2-ene-1,4-diamine
CID 22825121
5-Fluoro-2-methylpent-2-ene-1,4-diamine
CID 53663599
1-Fluoro-4-methylhex-3-ene-2,5-diamine
CID 54068661
5,5-Difluoro-3-methylpent-2-ene-1,4-diamine
CID 54087168
5-Fluoro-3-methylpent-2-ene-1,4-diamine
CID 54127816
2-Ethyl-5,5-difluoropent-2-ene-1,4-diamine
CID 54162506
1,1-Difluoro-3-methylhex-3-ene-2,5-diamine
CID 54193490
5,5-Difluoro-2-methylpent-2-ene-1,4-diamine
CID 54357721

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N,4-dimethylpent-3-en-2-amine?
The IUPAC name of 1,1-difluoro-N,4-dimethylpent-3-en-2-amine (CID 103516832) is 1,1-difluoro-N,4-dimethylpent-3-en-2-amine.
What is the SMILES notation for 1,1-difluoro-N,4-dimethylpent-3-en-2-amine?
The canonical SMILES for 1,1-difluoro-N,4-dimethylpent-3-en-2-amine is CNC(C=C(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-N,4-dimethylpent-3-en-2-amine?
The InChIKey is HNIAQMFJKWRYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)4-6(10-3)7(8)9/h4,6-7,10H,1-3H3.
What are the key properties of 1,1-difluoro-N,4-dimethylpent-3-en-2-amine?
1,1-difluoro-N,4-dimethylpent-3-en-2-amine has a molecular weight of 149.18 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N,4-dimethylpent-3-en-2-amine is sourced from PubChem (CID 103516832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).