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

C9H14FNO2 — CID 131041896

IUPACN-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCC(CF)NC(=O)C1=CCOCC1
InChIInChI=1S/C9H14FNO2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h2,7H,3-6H2,1H3,(H,11,12)
InChIKeyNHGUBYRGBLBLAP-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.81
Rot. Bonds3

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

N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide (PubChem CID 131041896) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide.

Molecular Properties

Compound NameN-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide
PubChem CID131041896
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC NameN-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide
SMILESCC(CF)NC(=O)C1=CCOCC1
InChIInChI=1S/C9H14FNO2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h2,7H,3-6H2,1H3,(H,11,12)
InChIKeyNHGUBYRGBLBLAP-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide?
The IUPAC name of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide (CID 131041896) is N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide.
What is the SMILES notation for N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide?
The canonical SMILES for N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide is CC(CF)NC(=O)C1=CCOCC1.
What is the InChIKey of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide?
The InChIKey is NHGUBYRGBLBLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-7(6-10)11-9(12)8-2-4-13-5-3-8/h2,7H,3-6H2,1H3,(H,11,12).
What are the key properties of N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide?
N-(1-fluoropropan-2-yl)-3,6-dihydro-2H-pyran-4-carboxamide has a molecular weight of 187.21 g/mol, XLogP of 0.81, 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)-3,6-dihydro-2H-pyran-4-carboxamide is sourced from PubChem (CID 131041896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).