1,1-difluoro-4-methylpent-4-en-2-amine

C6H11F2N — CID 13116879

IUPAC1,1-difluoro-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(N)C(F)F
InChIInChI=1S/C6H11F2N/c1-4(2)3-5(9)6(7)8/h5-6H,1,3,9H2,2H3
InChIKeySPCRSOYQDAEZKL-UHFFFAOYSA-N
MW135.16 g/mol
LogP1.54
Rot. Bonds3

About 1,1-difluoro-4-methylpent-4-en-2-amine

1,1-difluoro-4-methylpent-4-en-2-amine (PubChem CID 13116879) has the molecular formula C6H11F2N and a molecular weight of 135.16 g/mol. Its IUPAC name is 1,1-difluoro-4-methylpent-4-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-4-methylpent-4-en-2-amine
PubChem CID13116879
Molecular FormulaC6H11F2N
Molecular Weight135.16 g/mol
Exact Mass135.09
IUPAC Name1,1-difluoro-4-methylpent-4-en-2-amine
SMILESC=C(C)CC(N)C(F)F
InChIInChI=1S/C6H11F2N/c1-4(2)3-5(9)6(7)8/h5-6H,1,3,9H2,2H3
InChIKeySPCRSOYQDAEZKL-UHFFFAOYSA-N
XLogP1.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.16
LogP ≤ 51.54
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

1-Fluoro-2-amino-4-methyl-4-pentene
CID 13109082
5,5-Difluoro-2-methylidenepentane-1,4-diamine
CID 20461670
5,5-Difluoro-3-methylidenepentane-1,4-diamine
CID 20461676
1,1,1-Trifluoro-2-amino-5-hexene
CID 20521925
1,1,1-Trifluoro-3-methylidenepentan-2-amine
CID 55283335
6,6-Difluoro-3-methylidenehexane-1,5-diamine
CID 88691799
1-Fluoro-5-methylhex-5-en-2-amine
CID 88692315
6,6-Difluoro-2-methylidenehexane-1,5-diamine
CID 88692334
1,1-Difluoro-5-methylhex-5-en-2-amine
CID 88692408
1,5-Difluoro-2-methylidenepentane-1,4-diamine
CID 88692730
6,6-Difluoro-4-methylidenehexane-1,5-diamine
CID 88693115
(E)-6,6-difluoro-3-methylhex-2-ene-1,5-diamine
CID 88698593

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylpent-4-en-2-amine?
The IUPAC name of 1,1-difluoro-4-methylpent-4-en-2-amine (CID 13116879) is 1,1-difluoro-4-methylpent-4-en-2-amine.
What is the SMILES notation for 1,1-difluoro-4-methylpent-4-en-2-amine?
The canonical SMILES for 1,1-difluoro-4-methylpent-4-en-2-amine is C=C(C)CC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methylpent-4-en-2-amine?
The InChIKey is SPCRSOYQDAEZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N/c1-4(2)3-5(9)6(7)8/h5-6H,1,3,9H2,2H3.
What are the key properties of 1,1-difluoro-4-methylpent-4-en-2-amine?
1,1-difluoro-4-methylpent-4-en-2-amine has a molecular weight of 135.16 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylpent-4-en-2-amine is sourced from PubChem (CID 13116879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).