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

C8H12FN — CID 89326034

IUPAC(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C)=C(C)\C=C(/N)F
InChIInChI=1S/C8H12FN/c1-4-6(2)7(3)5-8(9)10/h4-5H,1,10H2,2-3H3/b7-6-,8-5-
InChIKeyVXAINYODJPSHLP-HSHIGALWSA-N
MW141.19 g/mol
LogP2.28
Rot. Bonds2

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

(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine (PubChem CID 89326034) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
PubChem CID89326034
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
SMILESC=C/C(C)=C(C)\C=C(/N)F
InChIInChI=1S/C8H12FN/c1-4-6(2)7(3)5-8(9)10/h4-5H,1,10H2,2-3H3/b7-6-,8-5-
InChIKeyVXAINYODJPSHLP-HSHIGALWSA-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': 'N-C-halo', 'substructure': 'N/A'}, {'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
(1E,3Z)-1-fluoro-3-methylpenta-1,3-dien-1-amine
CID 89141319
(1Z,3Z)-5-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine
CID 89326035
(1E,3Z)-1-fluoro-3-methylhexa-1,3,5-trien-1-amine
CID 118883041
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
CID 126548975
(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
CID 142152219
(3E)-3-fluoro-4-methylhexa-1,3,5-trien-2-amine
CID 143847654
(2Z,4Z)-4-ethenyl-5-fluorohepta-2,4,6-trien-3-amine
CID 144303763
(3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine
CID 145058995
(3E)-4-fluoro-3-methylhexa-1,3,5-trien-2-amine
CID 146382942
(1E,3Z)-1-fluoro-2-methylpenta-1,3-dien-1-amine
CID 156255247

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine (CID 89326034) is (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine is C=C/C(C)=C(C)\C=C(/N)F.
What is the InChIKey of (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
The InChIKey is VXAINYODJPSHLP-HSHIGALWSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-6(2)7(3)5-8(9)10/h4-5H,1,10H2,2-3H3/b7-6-,8-5-.
What are the key properties of (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine?
(1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-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 (1E,3Z)-1-fluoro-3,4-dimethylhexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89326034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).