(3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine

C7H10FN — CID 145058995

IUPAC(3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(/N)C(=C)F
InChIInChI=1S/C7H10FN/c1-4-5(2)7(9)6(3)8/h4H,1,3,9H2,2H3/b7-5+
InChIKeySTSSYXYUHUZKLX-FNORWQNLSA-N
MW127.16 g/mol
LogP1.89
Rot. Bonds2

About (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine

(3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine (PubChem CID 145058995) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine
PubChem CID145058995
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine
SMILESC=C/C(C)=C(/N)C(=C)F
InChIInChI=1S/C7H10FN/c1-4-5(2)7(9)6(3)8/h4H,1,3,9H2,2H3/b7-5+
InChIKeySTSSYXYUHUZKLX-FNORWQNLSA-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

(1E,3Z)-1-fluoro-4-methylhexa-1,3,5-trien-1-amine
CID 88558952
(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
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
CID 126548975
(3Z)-3-fluoro-6-methylhepta-1,3,5-trien-4-amine
CID 130344288
2-Fluoro-7-methylcyclohepta-1,3,6-trien-1-amine
CID 131992977
(3E)-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 134254169
(2Z,4Z)-5-fluoro-3-methylhepta-2,4-dien-4-amine
CID 137390524
(1E,3Z)-1-fluoro-3-methylpenta-1,3-diene-1,4-diamine
CID 138494979
(3E)-2-fluoro-4-methylhexa-3,5-dien-3-amine
CID 139473395
(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
CID 142152219

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine?
The IUPAC name of (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine (CID 145058995) is (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine?
The canonical SMILES for (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine is C=C/C(C)=C(/N)C(=C)F.
What is the InChIKey of (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine?
The InChIKey is STSSYXYUHUZKLX-FNORWQNLSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-5(2)7(9)6(3)8/h4H,1,3,9H2,2H3/b7-5+.
What are the key properties of (3E)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine?
(3E)-2-fluoro-4-methylhexa-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)-2-fluoro-4-methylhexa-1,3,5-trien-3-amine is sourced from PubChem (CID 145058995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).