N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide

C8H13F2NO2 — CID 126997787

IUPACN-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCC(F)F)C1(O)CCCC1
InChIInChI=1S/C8H13F2NO2/c9-6(10)5-11-7(12)8(13)3-1-2-4-8/h6,13H,1-5H2,(H,11,12)
InChIKeySJGCSZYTOMEDGV-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.67
Rot. Bonds3

About N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide

N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide (PubChem CID 126997787) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide
PubChem CID126997787
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC NameN-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide
SMILESO=C(NCC(F)F)C1(O)CCCC1
InChIInChI=1S/C8H13F2NO2/c9-6(10)5-11-7(12)8(13)3-1-2-4-8/h6,13H,1-5H2,(H,11,12)
InChIKeySJGCSZYTOMEDGV-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-(trifluoromethyl)azepan-2-one
CID 21024139
2-hydroxy-2-propan-2-yl-N-(2,2,2-trifluoroethyl)hexanamide
CID 141198602
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195509
2,2,2-trifluoro-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64195523
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 65711380
N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962878
N-[(1-hydroxycyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932719
4,4-difluoro-N-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 81932736
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
CID 103310184
2,2-difluoro-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 103513934
2,2,3,3-tetrafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 103733802
2,2,3,3,3-pentafluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 108092747

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide (CID 126997787) is N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide is O=C(NCC(F)F)C1(O)CCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is SJGCSZYTOMEDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-6(10)5-11-7(12)8(13)3-1-2-4-8/h6,13H,1-5H2,(H,11,12).
What are the key properties of N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide?
N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 126997787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).