(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine

C8H12FN — CID 143782128

IUPAC(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(/C)C(=C)F
InChIInChI=1S/C8H12FN/c1-5-8(10-4)6(2)7(3)9/h5,10H,1,3H2,2,4H3/b8-6+
InChIKeyCFLLYCQNRFWYIA-SOFGYWHQSA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds3

About (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine

(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine (PubChem CID 143782128) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
PubChem CID143782128
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine
SMILESC=C/C(NC)=C(/C)C(=C)F
InChIInChI=1S/C8H12FN/c1-5-8(10-4)6(2)7(3)9/h5,10H,1,3H2,2,4H3/b8-6+
InChIKeyCFLLYCQNRFWYIA-SOFGYWHQSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.15
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
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
(3E,5E)-5-(1,2-difluoroethylidene)-4-fluoro-N-methylocta-1,3,7-trien-3-amine
CID 134383256
5-fluoro-N-methylcyclohepta-1,2,4,6-tetraen-1-amine
CID 134424612
3-fluoro-4-methyl-2-methylidene-1H-pyridine
CID 134432270
(2E,4E)-6-fluoro-N,5-dimethylhexa-2,4-dien-3-amine
CID 134570347

Frequently Asked Questions

What is the IUPAC name of (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine (CID 143782128) is (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine is C=C/C(NC)=C(/C)C(=C)F.
What is the InChIKey of (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
The InChIKey is CFLLYCQNRFWYIA-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-8(10-4)6(2)7(3)9/h5,10H,1,3H2,2,4H3/b8-6+.
What are the key properties of (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine?
(3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine has a molecular weight of 141.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-N,4-dimethylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 143782128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).