3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine

C10H14F2N2 — CID 176663647

IUPAC3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine
SMILESC=CC(F)(F)[C@H](C)C1C=CC=NC1N
InChIInChI=1S/C10H14F2N2/c1-3-10(11,12)7(2)8-5-4-6-14-9(8)13/h3-9H,1,13H2,2H3/t7-,8?,9?/m1/s1
InChIKeyISZNVBKCGYGGSO-AFPNSQJFSA-N
MW200.23 g/mol
LogP1.99
Rot. Bonds3

About 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine

3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine (PubChem CID 176663647) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine
PubChem CID176663647
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine
SMILESC=CC(F)(F)[C@H](C)C1C=CC=NC1N
InChIInChI=1S/C10H14F2N2/c1-3-10(11,12)7(2)8-5-4-6-14-9(8)13/h3-9H,1,13H2,2H3/t7-,8?,9?/m1/s1
InChIKeyISZNVBKCGYGGSO-AFPNSQJFSA-N
XLogP1.99
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine
CID 154315144
3-pentan-3-yl-2H-pyridine-2,3-diamine
CID 145486557

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine?
The IUPAC name of 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine (CID 176663647) is 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine.
What is the SMILES notation for 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine?
The canonical SMILES for 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine is C=CC(F)(F)[C@H](C)C1C=CC=NC1N.
What is the InChIKey of 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine?
The InChIKey is ISZNVBKCGYGGSO-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-3-10(11,12)7(2)8-5-4-6-14-9(8)13/h3-9H,1,13H2,2H3/t7-,8?,9?/m1/s1.
What are the key properties of 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine?
3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine has a molecular weight of 200.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 176663647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).