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

C8H12FNO2 — CID 127017391

IUPACN-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCCF)C1=CCCCO1
InChIInChI=1S/C8H12FNO2/c9-4-5-10-8(11)7-3-1-2-6-12-7/h3H,1-2,4-6H2,(H,10,11)
InChIKeyOLKMQTJSHPPJTQ-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.77
Rot. Bonds3

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

N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 127017391) 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-6-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID127017391
Molecular FormulaC8H12FNO2
Molecular Weight173.19 g/mol
Exact Mass173.09
IUPAC NameN-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCCF)C1=CCCCO1
InChIInChI=1S/C8H12FNO2/c9-4-5-10-8(11)7-3-1-2-6-12-7/h3H,1-2,4-6H2,(H,10,11)
InChIKeyOLKMQTJSHPPJTQ-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 96568861
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
N-(2-fluoroethyl)-2,3-dihydrofuran-5-carboxamide
CID 130723672
N-(3,4-dihydro-2H-pyran-6-ylmethyl)prop-2-enamide
CID 154236200
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 171049178
5-methoxy-2,3-dihydro-1H-pyridin-6-one
CID 14991076
5-methoxy-4-oxo-N-propyl-4H-pyran-2-carboxamide
CID 45537834
N-(2-methoxyethyl)-2-(2-methyl-4-oxopyran-3-yl)oxyacetamide
CID 82064562
N-[(2S)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99813218
N-[(2R)-2-methoxy-3-methylbutyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99813219

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 127017391) is N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCCF)C1=CCCCO1.
What is the InChIKey of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is OLKMQTJSHPPJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO2/c9-4-5-10-8(11)7-3-1-2-6-12-7/h3H,1-2,4-6H2,(H,10,11).
What are the key properties of N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 173.19 g/mol, XLogP of 0.77, 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-6-carboxamide is sourced from PubChem (CID 127017391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).