2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

C7H11F2NO2 — CID 103513976

IUPAC2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(CO)CC1)C(F)F
InChIInChI=1S/C7H11F2NO2/c8-5(9)6(12)10-3-7(4-11)1-2-7/h5,11H,1-4H2,(H,10,12)
InChIKeyDLJYYQQTDFXUSC-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.14
Rot. Bonds4

About 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (PubChem CID 103513976) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
PubChem CID103513976
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(CO)CC1)C(F)F
InChIInChI=1S/C7H11F2NO2/c8-5(9)6(12)10-3-7(4-11)1-2-7/h5,11H,1-4H2,(H,10,12)
InChIKeyDLJYYQQTDFXUSC-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-aminocyclopentyl)methyl]-2,2-difluoroacetamide
CID 164661336
2,2-difluoro-N-[(1-methylcyclopentyl)methyl]acetamide
CID 103515473
2,2-difluoro-N-[(1-fluorocyclobutyl)methyl]acetamide
CID 130666100
4-amino-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-methylbutanamide
CID 115454930
(2S)-2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 115360089
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2,3-dimethylbutanamide
CID 115362678
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-methylurea
CID 79461046
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-sulfanylpropanamide
CID 107034279
[1-(hydroxymethyl)cyclopentyl]methylcarbamic acid
CID 66597374
3-amino-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-oxobutanoic acid
CID 103966705
2-bromo-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966036
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-methylpropyl)urea
CID 111573291

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (CID 103513976) is 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is O=C(NCC1(CO)CC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The InChIKey is DLJYYQQTDFXUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-5(9)6(12)10-3-7(4-11)1-2-7/h5,11H,1-4H2,(H,10,12).
What are the key properties of 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide has a molecular weight of 179.17 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 103513976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).