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

C11H18F3NO3 — CID 103280152

IUPACN-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-4-3-10(17)15-6-8-1-2-9(16)5-8/h8-9,16H,1-7H2,(H,15,17)
InChIKeyGSZWMLIWYIAUEN-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.23
Rot. Bonds6

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

N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103280152) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103280152
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1CCC(O)C1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-4-3-10(17)15-6-8-1-2-9(16)5-8/h8-9,16H,1-7H2,(H,15,17)
InChIKeyGSZWMLIWYIAUEN-UHFFFAOYSA-N
XLogP1.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.23
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

N-[(3-hydroxycyclobutyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103209117
1-[(3-hydroxycyclohexyl)methyl]-3-[3-(2,2,2-trifluoroethoxy)propyl]urea
CID 111504670
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360
3-chloro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106127897
N-[(3-hydroxycyclopentyl)methyl]-4-oxopentanamide
CID 106135905
N-[(2-bromocyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212531
N-[(3-hydroxycyclopentyl)methyl]-3-piperidin-4-yloxypropanamide
CID 106133903
2-cyclopropyl-N-[(3-hydroxycyclopentyl)methyl]acetamide
CID 103280419
3-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-ol
CID 66006339
N-[(3-hydroxycyclopentyl)methyl]-4-methoxypentanamide
CID 103280773
3-(2-fluorophenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280030
5-chloro-N-[(3-hydroxycyclopentyl)methyl]pentanamide
CID 106127901

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103280152) is N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1CCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is GSZWMLIWYIAUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)7-18-4-3-10(17)15-6-8-1-2-9(16)5-8/h8-9,16H,1-7H2,(H,15,17).
What are the key properties of N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 269.26 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103280152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).