(E)-1,1-difluoro-6-methylhept-2-en-4-amine

C8H15F2N — CID 154500853

IUPAC(E)-1,1-difluoro-6-methylhept-2-en-4-amine
SMILESCC(C)CC(N)/C=C/C(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)5-7(11)3-4-8(9)10/h3-4,6-8H,5,11H2,1-2H3/b4-3+
InChIKeyFOAPQCUSSMHFNE-ONEGZZNKSA-N
MW163.21 g/mol
LogP2.18
Rot. Bonds4

About (E)-1,1-difluoro-6-methylhept-2-en-4-amine

(E)-1,1-difluoro-6-methylhept-2-en-4-amine (PubChem CID 154500853) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (E)-1,1-difluoro-6-methylhept-2-en-4-amine.

Molecular Properties

Compound Name(E)-1,1-difluoro-6-methylhept-2-en-4-amine
PubChem CID154500853
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(E)-1,1-difluoro-6-methylhept-2-en-4-amine
SMILESCC(C)CC(N)/C=C/C(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)5-7(11)3-4-8(9)10/h3-4,6-8H,5,11H2,1-2H3/b4-3+
InChIKeyFOAPQCUSSMHFNE-ONEGZZNKSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.18
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

(2E)-5,5-difluoroocta-2,7-dien-4-amine;hydrochloride
CID 19099414
5,5-Difluoroocta-2,7-dien-4-amine
CID 54176095
(1R)-1-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 68097553
2-Fluoro-4-methylcyclohex-2-en-1-amine
CID 68309671
5-Fluoro-4-methylcyclohex-2-en-1-amine
CID 68331760
6-Fluoro-6-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 68854686
5,5-Difluoroocta-2,7-dien-4-amine;hydrochloride
CID 73474770
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanamine
CID 77408480
(E)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588160
(Z)-1,1,1-trifluoro-N,8-dimethylnon-5-en-2-amine
CID 88588161
(E)-7,7-difluoro-4-methylhept-3-ene-2,6-diamine
CID 88698900
(E)-1,1,1-trifluoro-N-iodooct-5-en-2-amine
CID 88909552

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-6-methylhept-2-en-4-amine?
The IUPAC name of (E)-1,1-difluoro-6-methylhept-2-en-4-amine (CID 154500853) is (E)-1,1-difluoro-6-methylhept-2-en-4-amine.
What is the SMILES notation for (E)-1,1-difluoro-6-methylhept-2-en-4-amine?
The canonical SMILES for (E)-1,1-difluoro-6-methylhept-2-en-4-amine is CC(C)CC(N)/C=C/C(F)F.
What is the InChIKey of (E)-1,1-difluoro-6-methylhept-2-en-4-amine?
The InChIKey is FOAPQCUSSMHFNE-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)5-7(11)3-4-8(9)10/h3-4,6-8H,5,11H2,1-2H3/b4-3+.
What are the key properties of (E)-1,1-difluoro-6-methylhept-2-en-4-amine?
(E)-1,1-difluoro-6-methylhept-2-en-4-amine has a molecular weight of 163.21 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-6-methylhept-2-en-4-amine is sourced from PubChem (CID 154500853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).