(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine

C10H15F2N — CID 166850149

IUPAC(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine
SMILESCNC(/C=C(\C)CF)=C(C)/C=C/F
InChIInChI=1S/C10H15F2N/c1-8(7-12)6-10(13-3)9(2)4-5-11/h4-6,13H,7H2,1-3H3/b5-4+,8-6+,10-9+
InChIKeyQROZVJUOMKENMD-OQBIUIKHSA-N
MW187.23 g/mol
LogP2.88
Rot. Bonds4

About (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine

(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine (PubChem CID 166850149) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine
PubChem CID166850149
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine
SMILESCNC(/C=C(\C)CF)=C(C)/C=C/F
InChIInChI=1S/C10H15F2N/c1-8(7-12)6-10(13-3)9(2)4-5-11/h4-6,13H,7H2,1-3H3/b5-4+,8-6+,10-9+
InChIKeyQROZVJUOMKENMD-OQBIUIKHSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-N-methyl-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073825
(2Z,4E)-3,5-difluoro-6-methyl-N-prop-2-enylhepta-2,4,6-trien-2-amine
CID 89289612
6-Methyl-5-(trifluoromethyl)-1,2-dihydropyridine
CID 126694524
(3R)-2,7-difluoro-N,3-dimethylcyclohepta-1,4,6-trien-1-amine
CID 130224811
5-fluoro-N,5-dimethylcyclohepta-1,3,6-trien-1-amine
CID 130272610
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
(2E)-N-methyl-3-(trifluoromethyl)penta-2,4-dien-2-amine
CID 130429585
5-fluoro-N,3-dimethylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134365557
(2Z)-3-fluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 134365597
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3Z,5E)-5,8-difluoro-N-methylocta-1,3,5-trien-2-amine
CID 134365647
(2E,4E)-5,7-difluoro-N,6-dimethylhepta-2,4-dien-3-amine
CID 134365754

Frequently Asked Questions

What is the IUPAC name of (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine?
The IUPAC name of (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine (CID 166850149) is (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine.
What is the SMILES notation for (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine?
The canonical SMILES for (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine is CNC(/C=C(\C)CF)=C(C)/C=C/F.
What is the InChIKey of (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine?
The InChIKey is QROZVJUOMKENMD-OQBIUIKHSA-N. The full InChI is InChI=1S/C10H15F2N/c1-8(7-12)6-10(13-3)9(2)4-5-11/h4-6,13H,7H2,1-3H3/b5-4+,8-6+,10-9+.
What are the key properties of (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine?
(1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine has a molecular weight of 187.23 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E,5E)-1,7-difluoro-N,3,6-trimethylhepta-1,3,5-trien-4-amine is sourced from PubChem (CID 166850149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).