N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C9H14FNO2 — CID 126989872

IUPACN-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCCF)CCCO1
InChIInChI=1S/C9H14FNO2/c1-7-8(3-2-6-13-7)9(12)11-5-4-10/h2-6H2,1H3,(H,11,12)
InChIKeyDVCJTKZRMLJXSS-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.16
Rot. Bonds3

About N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 126989872) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID126989872
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC NameN-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)NCCF)CCCO1
InChIInChI=1S/C9H14FNO2/c1-7-8(3-2-6-13-7)9(12)11-5-4-10/h2-6H2,1H3,(H,11,12)
InChIKeyDVCJTKZRMLJXSS-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 126989872) is N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)NCCF)CCCO1.
What is the InChIKey of N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is DVCJTKZRMLJXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7-8(3-2-6-13-7)9(12)11-5-4-10/h2-6H2,1H3,(H,11,12).
What are the key properties of N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 187.21 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 126989872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).