(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine

C7H10FN — CID 142861932

IUPAC(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C(F)=C/C
InChIInChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3-5H,2,9H2,1H3/b6-3+,7-5+
InChIKeyPRDJOLFYQFSAII-SNCPXTGUSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine

(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine (PubChem CID 142861932) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
PubChem CID142861932
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine
SMILESC=C/C(N)=C\C(F)=C/C
InChIInChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3-5H,2,9H2,1H3/b6-3+,7-5+
InChIKeyPRDJOLFYQFSAII-SNCPXTGUSA-N
XLogP1.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.89
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

ethane;(3E)-5-fluoro-6-methylhepta-1,3,5-trien-3-amine
CID 145356068
(3E,5E)-5-nitrohepta-1,3,5-trien-3-amine
CID 142131622
(3E)-4-amino-1,1,1-trifluorohexa-3,5-dien-2-one
CID 176670545
ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
CID 144803149
(2E,4Z)-5-ethenyl-3-fluoronona-2,4-diene
CID 146517614
3-ethenyl-5-fluorohepta-3,5-dien-2-imine
CID 90894939
(3E,5E)-octa-1,3,5,7-tetraene-3,6-diamine
CID 129109676
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(2Z,4E,6Z)-3,5-difluoroocta-2,4,6-triene
CID 89381383
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
CID 138723097
(5E,7E)-5-ethenyl-7-fluoro-4-oxonona-5,7-dienoic acid
CID 156838042

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine?
The IUPAC name of (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine (CID 142861932) is (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine.
What is the SMILES notation for (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine?
The canonical SMILES for (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine is C=C/C(N)=C\C(F)=C/C.
What is the InChIKey of (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine?
The InChIKey is PRDJOLFYQFSAII-SNCPXTGUSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-6(8)5-7(9)4-2/h3-5H,2,9H2,1H3/b6-3+,7-5+.
What are the key properties of (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine?
(3E,5E)-5-fluorohepta-1,3,5-trien-3-amine has a molecular weight of 127.16 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-5-fluorohepta-1,3,5-trien-3-amine is sourced from PubChem (CID 142861932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).