4,4-difluoro-N,6-dimethylhept-6-en-2-amine

C9H17F2N — CID 175622898

IUPAC4,4-difluoro-N,6-dimethylhept-6-en-2-amine
SMILESC=C(C)CC(F)(F)CC(C)NC
InChIInChI=1S/C9H17F2N/c1-7(2)5-9(10,11)6-8(3)12-4/h8,12H,1,5-6H2,2-4H3
InChIKeyBTGJYIIYYCZLGV-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.59
Rot. Bonds5

About 4,4-difluoro-N,6-dimethylhept-6-en-2-amine

4,4-difluoro-N,6-dimethylhept-6-en-2-amine (PubChem CID 175622898) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 4,4-difluoro-N,6-dimethylhept-6-en-2-amine.

Molecular Properties

Compound Name4,4-difluoro-N,6-dimethylhept-6-en-2-amine
PubChem CID175622898
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name4,4-difluoro-N,6-dimethylhept-6-en-2-amine
SMILESC=C(C)CC(F)(F)CC(C)NC
InChIInChI=1S/C9H17F2N/c1-7(2)5-9(10,11)6-8(3)12-4/h8,12H,1,5-6H2,2-4H3
InChIKeyBTGJYIIYYCZLGV-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.59
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 4,4-difluoro-N,6-dimethylhept-6-en-2-amine?
The IUPAC name of 4,4-difluoro-N,6-dimethylhept-6-en-2-amine (CID 175622898) is 4,4-difluoro-N,6-dimethylhept-6-en-2-amine.
What is the SMILES notation for 4,4-difluoro-N,6-dimethylhept-6-en-2-amine?
The canonical SMILES for 4,4-difluoro-N,6-dimethylhept-6-en-2-amine is C=C(C)CC(F)(F)CC(C)NC.
What is the InChIKey of 4,4-difluoro-N,6-dimethylhept-6-en-2-amine?
The InChIKey is BTGJYIIYYCZLGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2)5-9(10,11)6-8(3)12-4/h8,12H,1,5-6H2,2-4H3.
What are the key properties of 4,4-difluoro-N,6-dimethylhept-6-en-2-amine?
4,4-difluoro-N,6-dimethylhept-6-en-2-amine has a molecular weight of 177.24 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N,6-dimethylhept-6-en-2-amine is sourced from PubChem (CID 175622898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).