N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide

C9H14FNO2 — CID 130708560

IUPACN-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(CF)NC(=O)C1=CCCCO1
InChIInChI=1S/C9H14FNO2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h4,7H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyNIPVAWLZTAJPRJ-UHFFFAOYSA-N
MW187.21 g/mol
LogP1.15
Rot. Bonds3

About N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide

N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 130708560) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID130708560
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC NameN-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC(CF)NC(=O)C1=CCCCO1
InChIInChI=1S/C9H14FNO2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h4,7H,2-3,5-6H2,1H3,(H,11,12)
InChIKeyNIPVAWLZTAJPRJ-UHFFFAOYSA-N
XLogP1.15
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 ≤ 51.15
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-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(2-fluoroethyl)-2,3-dihydrofuran-5-carboxamide
CID 130723672
(6E)-5-ethyl-6-ethylidenemorpholin-3-one
CID 144082939
ethane;5-[(2E)-hepta-2,6-dienoxy]-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 144245089
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
2-oxo-N-propan-2-yl-3,4-dihydropyran-6-carboxamide
CID 170233465
4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 171049178
5-methoxy-2,3-dihydro-1H-pyridin-6-one
CID 14991076
N-isopropyl-5-methoxy-4-oxo-4H-pyran-2-carboxamide
CID 45537836
1,5-Dihydro-3-methoxy-5-methyl-2H-pyrrol-2-one
CID 55286648

Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 130708560) is N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide is CC(CF)NC(=O)C1=CCCCO1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is NIPVAWLZTAJPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(6-10)11-9(12)8-4-2-3-5-13-8/h4,7H,2-3,5-6H2,1H3,(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide?
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 187.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 130708560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).