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

C8H12FNO2 — CID 126996521

IUPACN-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESO=C(NCCF)C1CCC=CO1
InChIInChI=1S/C8H12FNO2/c9-4-5-10-8(11)7-3-1-2-6-12-7/h2,6-7H,1,3-5H2,(H,10,11)
InChIKeyGEBROSAKIYKYCE-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.76
Rot. Bonds3

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

N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide (PubChem CID 126996521) has the molecular formula C8H12FNO2 and a molecular weight of 173.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
PubChem CID126996521
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC NameN-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide
SMILESO=C(NCCF)C1CCC=CO1
InChIInChI=1S/C8H12FNO2/c9-4-5-10-8(11)7-3-1-2-6-12-7/h2,6-7H,1,3-5H2,(H,10,11)
InChIKeyGEBROSAKIYKYCE-UHFFFAOYSA-N
XLogP0.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroacetamide
CID 130834904
N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 131225571
N,N-diethyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 141178157
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)pentanamide
CID 106234456
2-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethoxy]acetamide
CID 106236107
N-[(1S)-1-cyanoethyl]-3,4-dihydro-2H-pyran-2-carboxamide
CID 126987464
N-propan-2-yl-3,4-dihydro-2H-pyran-2-carboxamide
CID 127012090
N-prop-2-enyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130635445
N-(2-chloroprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130662803
N-(2-methylprop-2-enyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130684849
N-(2-hydroxypropyl)-3,4-dihydro-2H-pyran-2-carboxamide
CID 130694220

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide (CID 126996521) is N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide is O=C(NCCF)C1CCC=CO1.
What is the InChIKey of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
The InChIKey is GEBROSAKIYKYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c9-4-5-10-8(11)7-3-1-2-6-12-7/h2,6-7H,1,3-5H2,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide?
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide has a molecular weight of 173.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-2-carboxamide is sourced from PubChem (CID 126996521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).