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

C14H20FNO — CID 134224689

IUPACN-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
SMILESC=CC1=C(C(=C)F)[C@@H](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/t13-/m1/s1
InChIKeyCNSAUOMSEWAWBQ-CYBMUJFWSA-N
MW237.32 g/mol
LogP2.88
Rot. Bonds5

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

N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine (PubChem CID 134224689) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
PubChem CID134224689
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC NameN-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine
SMILESC=CC1=C(C(=C)F)[C@@H](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/t13-/m1/s1
InChIKeyCNSAUOMSEWAWBQ-CYBMUJFWSA-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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Frequently Asked Questions

What is the IUPAC name of N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine (CID 134224689) is N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine is C=CC1=C(C(=C)F)[C@@H](CNC2CCC2)OCC1.
What is the InChIKey of N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
The InChIKey is CNSAUOMSEWAWBQ-CYBMUJFWSA-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/t13-/m1/s1.
What are the key properties of N-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine?
N-[[(6S)-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-[[(6S)-4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]cyclobutanamine is sourced from PubChem (CID 134224689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).