1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine

C9H11F4N — CID 145322980

IUPAC1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine
SMILESC=C(F)C(N1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H11F4N/c1-7(10)8(9(11,12)13)14-5-3-2-4-6-14/h2-3,8H,1,4-6H2
InChIKeyPCIZOOOIIGWUDK-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.66
Rot. Bonds2

About 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine

1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 145322980) has the molecular formula C9H11F4N and a molecular weight of 209.19 g/mol. Its IUPAC name is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID145322980
Molecular FormulaC9H11F4N
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine
SMILESC=C(F)C(N1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H11F4N/c1-7(10)8(9(11,12)13)14-5-3-2-4-6-14/h2-3,8H,1,4-6H2
InChIKeyPCIZOOOIIGWUDK-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 87882835
1-fluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 88041910
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142
1-Methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
CID 123157362
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 127668747
5-fluoro-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 127772956
(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine
CID 129140575
(6R)-3-fluoro-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 132066957
(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
CID 134269934
1-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 144410364
1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 144410380
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-2,3,6,7-tetrahydroazepine
CID 145322969

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine (CID 145322980) is 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine is C=C(F)C(N1CC=CCC1)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is PCIZOOOIIGWUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N/c1-7(10)8(9(11,12)13)14-5-3-2-4-6-14/h2-3,8H,1,4-6H2.
What are the key properties of 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine?
1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 209.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 145322980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).