1,1-difluoro-5-methylhex-5-en-2-amine

C7H13F2N — CID 88692408

IUPAC1,1-difluoro-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(N)C(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)3-4-6(10)7(8)9/h6-7H,1,3-4,10H2,2H3
InChIKeyWGXGNOOVIUHUJK-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.94
Rot. Bonds4

About 1,1-difluoro-5-methylhex-5-en-2-amine

1,1-difluoro-5-methylhex-5-en-2-amine (PubChem CID 88692408) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 1,1-difluoro-5-methylhex-5-en-2-amine.

Molecular Properties

Compound Name1,1-difluoro-5-methylhex-5-en-2-amine
PubChem CID88692408
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name1,1-difluoro-5-methylhex-5-en-2-amine
SMILESC=C(C)CCC(N)C(F)F
InChIInChI=1S/C7H13F2N/c1-5(2)3-4-6(10)7(8)9/h6-7H,1,3-4,10H2,2H3
InChIKeyWGXGNOOVIUHUJK-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-5-methylhex-5-en-2-amine?
The IUPAC name of 1,1-difluoro-5-methylhex-5-en-2-amine (CID 88692408) is 1,1-difluoro-5-methylhex-5-en-2-amine.
What is the SMILES notation for 1,1-difluoro-5-methylhex-5-en-2-amine?
The canonical SMILES for 1,1-difluoro-5-methylhex-5-en-2-amine is C=C(C)CCC(N)C(F)F.
What is the InChIKey of 1,1-difluoro-5-methylhex-5-en-2-amine?
The InChIKey is WGXGNOOVIUHUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-5(2)3-4-6(10)7(8)9/h6-7H,1,3-4,10H2,2H3.
What are the key properties of 1,1-difluoro-5-methylhex-5-en-2-amine?
1,1-difluoro-5-methylhex-5-en-2-amine has a molecular weight of 149.18 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-5-methylhex-5-en-2-amine is sourced from PubChem (CID 88692408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).