N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide

C10H16FNO2 — CID 130783856

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCC1CCC=CO1
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-7-8-5-3-4-6-14-8/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyPHWFPGCLSABIPH-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.54
Rot. Bonds3

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide (PubChem CID 130783856) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
PubChem CID130783856
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)NCC1CCC=CO1
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-7-8-5-3-4-6-14-8/h4,6,8H,3,5,7H2,1-2H3,(H,12,13)
InChIKeyPHWFPGCLSABIPH-UHFFFAOYSA-N
XLogP1.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-methylpropanamide
CID 130964270
2-fluoro-2-methyl-N-[(5-methyloxolan-2-yl)methyl]propanamide
CID 131187349
1-(3,4-dihydro-2H-pyran-2-ylmethyl)-3-ethylthiourea
CID 130621427
3-(3,4-dihydro-2H-pyran-2-ylmethylcarbamoylamino)propanoic acid
CID 122010998
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylbutan-1-amine
CID 105022122
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-dimethylcyclopropan-1-amine
CID 62065291
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)cyclopentyl]carbamate
CID 102613520
5-(3,4-dihydro-2H-pyran-2-ylmethylamino)-4,4-dimethylpentan-1-ol
CID 107095327
cis-(1S,2R)-N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 124834368
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)propan-1-ol
CID 62066153
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
CID 107240161

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide (CID 130783856) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide?
The InChIKey is PHWFPGCLSABIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(2,11)9(13)12-7-8-5-3-4-6-14-8/h4,6,8H,3,5,7H2,1-2H3,(H,12,13).
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide has a molecular weight of 201.24 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide is sourced from PubChem (CID 130783856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).