(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine

C9H14FN — CID 126548975

IUPAC(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(C)=C(\F)C=C(C)C
InChIInChI=1S/C9H14FN/c1-6(2)5-9(10)7(3)8(4)11/h5H,4,11H2,1-3H3/b9-7-
InChIKeyHBVKASPZMKGAME-CLFYSBASSA-N
MW155.22 g/mol
LogP2.67
Rot. Bonds2

About (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine

(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine (PubChem CID 126548975) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
PubChem CID126548975
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
SMILESC=C(N)/C(C)=C(\F)C=C(C)C
InChIInChI=1S/C9H14FN/c1-6(2)5-9(10)7(3)8(4)11/h5H,4,11H2,1-3H3/b9-7-
InChIKeyHBVKASPZMKGAME-CLFYSBASSA-N
XLogP2.67
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.67
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)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine (CID 126548975) is (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine is C=C(N)/C(C)=C(\F)C=C(C)C.
What is the InChIKey of (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine?
The InChIKey is HBVKASPZMKGAME-CLFYSBASSA-N. The full InChI is InChI=1S/C9H14FN/c1-6(2)5-9(10)7(3)8(4)11/h5H,4,11H2,1-3H3/b9-7-.
What are the key properties of (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine?
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine has a molecular weight of 155.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine is sourced from PubChem (CID 126548975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).