2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine

C13H18FNO — CID 145138576

IUPAC2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
SMILESC=CC1=C(C(=C)F)C(C2CCCN2)OCC1
InChIInChI=1S/C13H18FNO/c1-3-10-6-8-16-13(12(10)9(2)14)11-5-4-7-15-11/h3,11,13,15H,1-2,4-8H2
InChIKeyBYUQBJSNJHTEAW-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.49
Rot. Bonds3

About 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine

2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine (PubChem CID 145138576) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine.

Molecular Properties

Compound Name2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
PubChem CID145138576
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
SMILESC=CC1=C(C(=C)F)C(C2CCCN2)OCC1
InChIInChI=1S/C13H18FNO/c1-3-10-6-8-16-13(12(10)9(2)14)11-5-4-7-15-11/h3,11,13,15H,1-2,4-8H2
InChIKeyBYUQBJSNJHTEAW-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 134224689
N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 142279459
2-[[1,5-Dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]pyrrolidine
CID 142853190
2-[4-(1-bromoethenyl)-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138555
[(2R,3R)-2-[(4-methoxycyclohexa-1,5-dien-1-yl)methyl]pyrrolidin-3-yl] acetate
CID 70901503
2-[(2,6-Dimethylcyclohexa-2,4-dien-1-yl)oxymethyl]pyrrolidine
CID 123251310
(6S)-4-[(Z)-prop-1-enyl]-6-[(2S)-pyrrolidin-2-yl]-3,6-dihydro-2H-pyran-5-thiol
CID 144197637
2-[3,4-Bis(ethenyl)-6,6-dimethyl-2,5-dihydropyran-2-yl]pyrrolidine;ethane
CID 145138497
2-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138513
2-(5-Ethenyl-6-prop-1-en-2-yl-2,3,4,7-tetrahydrooxepin-7-yl)pyrrolidine
CID 145138570
3-Cyclohexa-1,5-dien-1-yl-2-oxa-5-azabicyclo[2.2.1]heptane
CID 156081961
(7S,7aS)-5,7-dimethyl-1,2,3,5,7,7a-hexahydropyrano[3,4-b]pyrrole;ethane
CID 177009638

Frequently Asked Questions

What is the IUPAC name of 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
The IUPAC name of 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine (CID 145138576) is 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine.
What is the SMILES notation for 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
The canonical SMILES for 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine is C=CC1=C(C(=C)F)C(C2CCCN2)OCC1.
What is the InChIKey of 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
The InChIKey is BYUQBJSNJHTEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-10-6-8-16-13(12(10)9(2)14)11-5-4-7-15-11/h3,11,13,15H,1-2,4-8H2.
What are the key properties of 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine?
2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine has a molecular weight of 223.29 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine is sourced from PubChem (CID 145138576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).