(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine

C8H12FN — CID 142152219

IUPAC(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(C)=C\C(F)=C/C
InChIInChI=1S/C8H12FN/c1-4-8(9)5-6(2)7(3)10/h4-5H,3,10H2,1-2H3/b6-5-,8-4+
InChIKeyOILXIMRPSRKIFQ-QNMAEOQASA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

About (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine

(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine (PubChem CID 142152219) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
PubChem CID142152219
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(C)=C\C(F)=C/C
InChIInChI=1S/C8H12FN/c1-4-8(9)5-6(2)7(3)10/h4-5H,3,10H2,1-2H3/b6-5-,8-4+
InChIKeyOILXIMRPSRKIFQ-QNMAEOQASA-N
XLogP2.28
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.28
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

(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(1E,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 88558952
(3E,5Z)-2-fluoro-5-methylhepta-1,3,5-trien-4-amine
CID 88575399
(3E,5Z)-7-(trifluoromethyl)octa-3,5,7-trien-4-amine
CID 89073720
(2E,4E,6Z)-3-fluoroocta-2,4,6-trien-4-amine
CID 89076302
(1E,3Z)-1-fluoro-3-methylpenta-1,3-dien-1-amine
CID 89141319
(2E,4Z)-6-(trifluoromethyl)hepta-2,4,6-trien-3-amine
CID 89153760
(3E,5E)-5-fluoro-4-(trifluoromethyl)hepta-1,3,5-trien-2-amine
CID 89214774
(3E,5E)-6-fluoro-5-methylhepta-1,3,5-trien-3-amine
CID 89214934
(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
CID 89326034
(1Z,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 90436396
(1E,3Z)-1-fluoro-3-methylhexa-1,3,5-trien-1-amine
CID 118883041

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine (CID 142152219) is (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine is C=C(N)/C(C)=C\C(F)=C/C.
What is the InChIKey of (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine?
The InChIKey is OILXIMRPSRKIFQ-QNMAEOQASA-N. The full InChI is InChI=1S/C8H12FN/c1-4-8(9)5-6(2)7(3)10/h4-5H,3,10H2,1-2H3/b6-5-,8-4+.
What are the key properties of (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine?
(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine has a molecular weight of 141.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 142152219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).