(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine

C8H12FN — CID 142259063

IUPAC(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C/C(C)=C(/F)C(=C)CN
InChIInChI=1S/C8H12FN/c1-4-6(2)8(9)7(3)5-10/h4H,1,3,5,10H2,2H3/b8-6+
InChIKeyOHVVLHNILLGTQE-SOFGYWHQSA-N
MW141.19 g/mol
LogP1.93
Rot. Bonds3

About (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine

(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine (PubChem CID 142259063) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine
PubChem CID142259063
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine
SMILESC=C/C(C)=C(/F)C(=C)CN
InChIInChI=1S/C8H12FN/c1-4-6(2)8(9)7(3)5-10/h4H,1,3,5,10H2,2H3/b8-6+
InChIKeyOHVVLHNILLGTQE-SOFGYWHQSA-N
XLogP1.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.93
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

4-Ethenylhexa-3,5-dien-1-amine
CID 130019176
4-Fluoro-4-fluorobenzylamine
CID 70144286
(3,4-Difluorocyclohexa-1,5-dien-1-yl)methanamine
CID 70311731
1-(4-fluorocyclohexa-1,5-dien-1-yl)-N-methylmethanamine
CID 70372203
(1E,3Z)-4-methyl-2-(trifluoromethyl)hexa-1,3,5-trien-1-amine
CID 88063248
(2E,3E)-2-ethylidene-4-fluoro-N-methylhexa-3,5-dien-1-amine
CID 88224148
(2E)-2-[(E)-2-chloro-3-fluoroprop-1-enyl]penta-2,4-dien-1-amine
CID 88266399
(2E,4E)-5-fluoro-4-methyl-2-[(Z)-prop-1-enyl]hexa-2,4-dien-1-amine
CID 88267041
(E)-4-fluoro-2-methylidenehex-3-en-1-amine
CID 88557724
(1Z,3Z)-5-fluoro-2-methylhexa-1,3,5-trien-1-amine
CID 88579423
(2E,4Z)-6-fluoro-2-methylhepta-2,4,6-trien-1-amine
CID 88590092
(E)-[(6Z)-2-fluoro-5-methyl-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]methanamine
CID 88961311

Frequently Asked Questions

What is the IUPAC name of (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine?
The IUPAC name of (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine (CID 142259063) is (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine is C=C/C(C)=C(/F)C(=C)CN.
What is the InChIKey of (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine?
The InChIKey is OHVVLHNILLGTQE-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-6(2)8(9)7(3)5-10/h4H,1,3,5,10H2,2H3/b8-6+.
What are the key properties of (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine?
(3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-fluoro-4-methyl-2-methylidenehexa-3,5-dien-1-amine is sourced from PubChem (CID 142259063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).