(1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine

C6H10FN — CID 155086858

IUPAC(1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C\C=C(\F)NC
InChIInChI=1S/C6H10FN/c1-3-4-5-6(7)8-2/h3-5,8H,1-2H3/b4-3-,6-5-
InChIKeyBJGASXPWLDJXFQ-OUPQRBNQSA-N
MW115.15 g/mol
LogP1.59
Rot. Bonds2

About (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine

(1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine (PubChem CID 155086858) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine
PubChem CID155086858
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine
SMILESC/C=C\C=C(\F)NC
InChIInChI=1S/C6H10FN/c1-3-4-5-6(7)8-2/h3-5,8H,1-2H3/b4-3-,6-5-
InChIKeyBJGASXPWLDJXFQ-OUPQRBNQSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 51.59
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

3-fluoro-1H-azepine
CID 86231520
(2Z,4E)-5-fluoro-N-methylhexa-2,4-dien-2-amine
CID 89073527
(1E)-1-fluoro-N-methylbuta-1,3-dien-1-amine
CID 118349261
(1E)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 129130711
(3E)-3-fluoro-N-methylpenta-1,3-dien-2-amine
CID 130336732
(2E)-4-fluoro-N-methylpenta-2,4-dien-2-amine
CID 130428227
(1E)-N-ethyl-1-fluorobuta-1,3-dien-1-amine
CID 134581899
(2Z)-1,1-difluoro-N-methylpenta-2,4-dien-2-amine
CID 135234850
(2Z)-3-fluoro-N-methylpenta-2,4-dien-2-amine
CID 139340936
(3E,5E)-6-fluoro-N-methylhepta-1,3,5-trien-3-amine
CID 139341995
(2E)-N-ethenyl-4-fluoropenta-2,4-dien-2-amine
CID 139473335
(2E,4Z,6E)-7-fluoro-N-methylhepta-2,4,6-trien-3-amine
CID 141822129

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine (CID 155086858) is (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine is C/C=C\C=C(\F)NC.
What is the InChIKey of (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine?
The InChIKey is BJGASXPWLDJXFQ-OUPQRBNQSA-N. The full InChI is InChI=1S/C6H10FN/c1-3-4-5-6(7)8-2/h3-5,8H,1-2H3/b4-3-,6-5-.
What are the key properties of (1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine?
(1E,3Z)-1-fluoro-N-methylpenta-1,3-dien-1-amine has a molecular weight of 115.15 g/mol, XLogP of 1.59, 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-N-methylpenta-1,3-dien-1-amine is sourced from PubChem (CID 155086858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).