6,6-difluorohept-1-en-4-amine

C7H13F2N — CID 163278942

IUPAC6,6-difluorohept-1-en-4-amine
SMILESC=CCC(N)CC(C)(F)F
InChIInChI=1S/C7H13F2N/c1-3-4-6(10)5-7(2,8)9/h3,6H,1,4-5,10H2,2H3
InChIKeyRJXBUROSVMRCSV-UHFFFAOYSA-N
MW149.18 g/mol
LogP1.94
Rot. Bonds4

About 6,6-difluorohept-1-en-4-amine

6,6-difluorohept-1-en-4-amine (PubChem CID 163278942) has the molecular formula C7H13F2N and a molecular weight of 149.18 g/mol. Its IUPAC name is 6,6-difluorohept-1-en-4-amine.

Molecular Properties

Compound Name6,6-difluorohept-1-en-4-amine
PubChem CID163278942
Molecular FormulaC7H13F2N
Molecular Weight149.18 g/mol
Exact Mass149.10
IUPAC Name6,6-difluorohept-1-en-4-amine
SMILESC=CCC(N)CC(C)(F)F
InChIInChI=1S/C7H13F2N/c1-3-4-6(10)5-7(2,8)9/h3,6H,1,4-5,10H2,2H3
InChIKeyRJXBUROSVMRCSV-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 6,6-difluorohept-1-en-4-amine?
The IUPAC name of 6,6-difluorohept-1-en-4-amine (CID 163278942) is 6,6-difluorohept-1-en-4-amine.
What is the SMILES notation for 6,6-difluorohept-1-en-4-amine?
The canonical SMILES for 6,6-difluorohept-1-en-4-amine is C=CCC(N)CC(C)(F)F.
What is the InChIKey of 6,6-difluorohept-1-en-4-amine?
The InChIKey is RJXBUROSVMRCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N/c1-3-4-6(10)5-7(2,8)9/h3,6H,1,4-5,10H2,2H3.
What are the key properties of 6,6-difluorohept-1-en-4-amine?
6,6-difluorohept-1-en-4-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 6,6-difluorohept-1-en-4-amine is sourced from PubChem (CID 163278942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).