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

C14H20FNO — CID 142279459

IUPACN-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
SMILESC=CC1=C(C(=C)F)C(CNC2CCC2)OCC1
InChIInChI=1S/C14H20FNO/c1-3-11-7-8-17-13(14(11)10(2)15)9-16-12-5-4-6-12/h3,12-13,16H,1-2,4-9H2
InChIKeyCNSAUOMSEWAWBQ-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.88
Rot. Bonds5

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

N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine (PubChem CID 142279459) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
PubChem CID142279459
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
SMILESC=CC1=C(C(=C)F)C(CNC2CCC2)OCC1
InChIInChI=1S/C14H20FNO/c1-3-11-7-8-17-13(14(11)10(2)15)9-16-12-5-4-6-12/h3,12-13,16H,1-2,4-9H2
InChIKeyCNSAUOMSEWAWBQ-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(E)-2-fluoro-3-methylpent-1-enyl]-5-methyl-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 129015871
1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 134224607
N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
CID 134224689
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
2-[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]pyrrolidine
CID 145138576
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477
(2S,5S)-2-[(2E,4Z)-hexa-2,4-dien-3-yl]-5-methylmorpholine
CID 129015398
(2S,5S)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-5-methylmorpholine
CID 135130030
ethane;(4E)-4-ethenyl-3-ethoxy-N-ethylhepta-4,6-dien-2-amine
CID 142183657

Frequently Asked Questions

What is the IUPAC name of N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine (CID 142279459) is N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine is C=CC1=C(C(=C)F)C(CNC2CCC2)OCC1.
What is the InChIKey of N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
The InChIKey is CNSAUOMSEWAWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-11-7-8-17-13(14(11)10(2)15)9-16-12-5-4-6-12/h3,12-13,16H,1-2,4-9H2.
What are the key properties of N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine has a molecular weight of 237.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine is sourced from PubChem (CID 142279459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).