(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine

C8H12FN — CID 142239016

IUPAC(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C(/C)C(=C)NC
InChIInChI=1S/C8H12FN/c1-6(5-7(2)9)8(3)10-4/h5,10H,2-3H2,1,4H3/b6-5-
InChIKeyIQHBDSVAYMVPLG-WAYWQWQTSA-N
MW141.19 g/mol
LogP2.15
Rot. Bonds3

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

(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine (PubChem CID 142239016) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine
PubChem CID142239016
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC Name(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine
SMILESC=C(F)/C=C(/C)C(=C)NC
InChIInChI=1S/C8H12FN/c1-6(5-7(2)9)8(3)10-4/h5,10H,2-3H2,1,4H3/b6-5-
InChIKeyIQHBDSVAYMVPLG-WAYWQWQTSA-N
XLogP2.15
TPSA12.03 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 ≤ 52.15
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

6-(1,1-Difluoroethyl)-3-methyl-1,2-dihydropyridine
CID 122429849
(3Z)-4-fluoro-3,6-dimethylhepta-1,3,5-trien-2-amine
CID 126548975
(3E)-N-methyl-3-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 130377922
(4E)-4-fluoro-N-methyl-3-propan-2-ylidenehexa-1,4-dien-2-amine
CID 134254189
(2E)-2-(2-fluoroethylidene)-4-methyl-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]pent-3-en-1-amine
CID 134291684
(2Z)-3-fluoro-N,5-dimethylhexa-2,4-dien-2-amine
CID 134365597
(2E,4E)-5-fluoro-N,3-dimethylhexa-2,4-dien-2-amine
CID 134365643
(3E)-6-fluoro-N,3-dimethylhexa-1,3-dien-2-amine
CID 134405604
(2E,4E)-6-fluoro-N,5-dimethylhexa-2,4-dien-3-amine
CID 134570347
(2E,4E)-2-ethenyl-5-fluoro-N-methylpenta-2,4-dien-1-amine
CID 138478269
(3E,5Z)-5-ethenyl-2-fluoro-N-methylocta-3,5,7-trien-3-amine
CID 139402965
(3Z,5E)-5-fluoro-3-methylhepta-1,3,5-trien-2-amine
CID 142152219

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine?
The IUPAC name of (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine (CID 142239016) is (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine?
The canonical SMILES for (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine is C=C(F)/C=C(/C)C(=C)NC.
What is the InChIKey of (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine?
The InChIKey is IQHBDSVAYMVPLG-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H12FN/c1-6(5-7(2)9)8(3)10-4/h5,10H,2-3H2,1,4H3/b6-5-.
What are the key properties of (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine?
(3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine has a molecular weight of 141.19 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluoro-N,3-dimethylhexa-1,3,5-trien-2-amine is sourced from PubChem (CID 142239016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).