2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide

C10H18FNO2 — CID 130165116

IUPAC2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1CCOCC1
InChIInChI=1S/C10H18FNO2/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyZEEBGKHAKQSQLE-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.28
Rot. Bonds3

About 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide

2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide (PubChem CID 130165116) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
PubChem CID130165116
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide
SMILESCC(C)(F)C(=O)NCC1CCOCC1
InChIInChI=1S/C10H18FNO2/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13)
InChIKeyZEEBGKHAKQSQLE-UHFFFAOYSA-N
XLogP1.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-ethoxypropyl)oxane-4-carboxamide
CID 51073129
(2S)-2-methyl-N-(oxan-4-ylmethyl)pentanamide
CID 99739825
(2S)-2-methyl-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 99740333
N-[(1S)-2,2-dimethylcyclopropyl]-4-(fluoromethyl)oxane-4-carboxamide
CID 126790819
N-[(4-fluorooxan-4-yl)methyl]acetamide
CID 89959678
N-(3-fluorooxan-4-yl)-2-methylpropanamide
CID 124162800
2,2-difluoro-N-[(3R)-4-methyloxan-3-yl]propanamide
CID 137472432
N-[2-fluoro-3-(4-methylpentoxy)butyl]-2-methylpropanamide
CID 149365164
N-[2-fluoro-3-methyl-3-(4-methylpentoxy)butyl]-2-methylpropanamide
CID 158934566
ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164555847
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
2,2-difluoro-N-[(3S,4S)-4-propan-2-yloxan-3-yl]propanamide
CID 176856938

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide (CID 130165116) is 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide is CC(C)(F)C(=O)NCC1CCOCC1.
What is the InChIKey of 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is ZEEBGKHAKQSQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-10(2,11)9(13)12-7-8-3-5-14-6-4-8/h8H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide?
2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 203.26 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 130165116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).