3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine

C8H12FN — CID 123814892

IUPAC3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
SMILESC=CC=C(F)C(=C)N(C)C
InChIInChI=1S/C8H12FN/c1-5-6-8(9)7(2)10(3)4/h5-6H,1-2H2,3-4H3
InChIKeyYYORHRRISCMSSK-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.10
Rot. Bonds3

About 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine

3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 123814892) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
PubChem CID123814892
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine
SMILESC=CC=C(F)C(=C)N(C)C
InChIInChI=1S/C8H12FN/c1-5-6-8(9)7(2)10(3)4/h5-6H,1-2H2,3-4H3
InChIKeyYYORHRRISCMSSK-UHFFFAOYSA-N
XLogP2.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Bromo[4-(dimethylamino)phenyl]magnesium
CID 10933129
magnesium;N,N-dimethylaniline;bromide
CID 15971454
4-(N,N-Dimethyl)aniline magnesium bromide
CID 54723488
[p-(Dimethylamino)phenyl]lithium
CID 83217
Lithium 2-(dimethylamino)benzen-1-ide
CID 12620685
C8H10BrMgN
CID 72731801
(4-(dimethylamino)phenyl)zinc(II) chloride
CID 10036436
magnesium;N,N-dimethylaniline;chloride
CID 10910146
Magnesium bromide 3-(dimethylamino)benzen-1-ide (1/1/1)
CID 12887370
2-(N,N-Dimethylamino)phenylmagnesium bromide, 0.50 M in THF
CID 14469165
1,2,7-Trimethylazepine
CID 21766428
6-ethenyl-1-methyl-2H-pyridine
CID 22719088

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine (CID 123814892) is 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine is C=CC=C(F)C(=C)N(C)C.
What is the InChIKey of 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is YYORHRRISCMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-6-8(9)7(2)10(3)4/h5-6H,1-2H2,3-4H3.
What are the key properties of 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine?
3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 141.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 123814892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).