3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide

C11H19F2NO3 — CID 103209079

IUPAC3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1(O)CCCC1
InChIInChI=1S/C11H19F2NO3/c12-9(13)7-17-6-3-10(15)14-8-11(16)4-1-2-5-11/h9,16H,1-8H2,(H,14,15)
InChIKeyVKTZPWYDDXMDEV-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.08
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide

3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide (PubChem CID 103209079) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
PubChem CID103209079
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCOCC(F)F)NCC1(O)CCCC1
InChIInChI=1S/C11H19F2NO3/c12-9(13)7-17-6-3-10(15)14-8-11(16)4-1-2-5-11/h9,16H,1-8H2,(H,14,15)
InChIKeyVKTZPWYDDXMDEV-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195509
N-[(1-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64196701
N-[(1-hydroxycycloheptyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64458309
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cyclopentan-1-ol
CID 65111635
N-(2-ethyl-2-hydroxybutyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 65112688
N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65113464
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65119797
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 65711380
N-[(2-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65834384
N-(2-hydroxy-2,4-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 66180680
N-[(4-hydroxyoxan-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 79039103
3-(2,2-difluoroethoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 103209078

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide (CID 103209079) is 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide is O=C(CCOCC(F)F)NCC1(O)CCCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is VKTZPWYDDXMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-9(13)7-17-6-3-10(15)14-8-11(16)4-1-2-5-11/h9,16H,1-8H2,(H,14,15).
What are the key properties of 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide?
3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 251.27 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-[(1-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 103209079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).