(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine

C10H16FN — CID 143443344

IUPAC(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
SMILESC/C=C\C(=C/C=C/F)[C@@H](C)NC
InChIInChI=1S/C10H16FN/c1-4-6-10(7-5-8-11)9(2)12-3/h4-9,12H,1-3H3/b6-4-,8-5+,10-7+/t9-/m1/s1
InChIKeyUPOBGVKHBZYQSZ-JIDCUMQISA-N
MW169.24 g/mol
LogP2.58
Rot. Bonds4

About (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine

(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine (PubChem CID 143443344) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine.

Molecular Properties

Compound Name(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
PubChem CID143443344
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine
SMILESC/C=C\C(=C/C=C/F)[C@@H](C)NC
InChIInChI=1S/C10H16FN/c1-4-6-10(7-5-8-11)9(2)12-3/h4-9,12H,1-3H3/b6-4-,8-5+,10-7+/t9-/m1/s1
InChIKeyUPOBGVKHBZYQSZ-JIDCUMQISA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The IUPAC name of (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine (CID 143443344) is (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine.
What is the SMILES notation for (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The canonical SMILES for (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine is C/C=C\C(=C/C=C/F)[C@@H](C)NC.
What is the InChIKey of (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
The InChIKey is UPOBGVKHBZYQSZ-JIDCUMQISA-N. The full InChI is InChI=1S/C10H16FN/c1-4-6-10(7-5-8-11)9(2)12-3/h4-9,12H,1-3H3/b6-4-,8-5+,10-7+/t9-/m1/s1.
What are the key properties of (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine?
(2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine has a molecular weight of 169.24 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5E)-6-fluoro-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-amine is sourced from PubChem (CID 143443344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).