N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide

C10H17F2NO3 — CID 103526984

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(F)(F)CO)CCC1
InChIInChI=1S/C10H17F2NO3/c1-16-9(3-2-4-9)5-8(15)13-6-10(11,12)7-14/h14H,2-7H2,1H3,(H,13,15)
InChIKeyAGEPIPYNAPGGTG-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.69
Rot. Bonds6

About N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide (PubChem CID 103526984) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
PubChem CID103526984
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
SMILESCOC1(CC(=O)NCC(F)(F)CO)CCC1
InChIInChI=1S/C10H17F2NO3/c1-16-9(3-2-4-9)5-8(15)13-6-10(11,12)7-14/h14H,2-7H2,1H3,(H,13,15)
InChIKeyAGEPIPYNAPGGTG-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 75436732
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 97329897
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1S,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 97329898
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 97329899
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[(1R,2R)-2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 97329900
3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclobutyl)methyl]propanamide
CID 103209186
2-(1-methoxycyclobutyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103524806
N-(3,3-difluoro-2-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103525099
N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103526182
N-(3-amino-2,2-difluoropropyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557394
2-cyclobutyl-N-(2,2-difluoro-3-hydroxypropyl)acetamide
CID 104858272

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide (CID 103526984) is N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide is COC1(CC(=O)NCC(F)(F)CO)CCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide?
The InChIKey is AGEPIPYNAPGGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-16-9(3-2-4-9)5-8(15)13-6-10(11,12)7-14/h14H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide has a molecular weight of 237.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(1-methoxycyclobutyl)acetamide is sourced from PubChem (CID 103526984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).