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

C10H13F6NO2 — CID 103310184

IUPAC3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(O)CCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)6(10(14,15)16)7(18)17-5-8(19)3-1-2-4-8/h6,19H,1-5H2,(H,17,18)
InChIKeyJEPUOKOELJWIPD-UHFFFAOYSA-N
MW293.21 g/mol
LogP2.15
Rot. Bonds3

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

3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310184) has the molecular formula C10H13F6NO2 and a molecular weight of 293.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
PubChem CID103310184
Molecular FormulaC10H13F6NO2
Molecular Weight293.21 g/mol
Exact Mass293.09
IUPAC Name3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(O)CCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO2/c11-9(12,13)6(10(14,15)16)7(18)17-5-8(19)3-1-2-4-8/h6,19H,1-5H2,(H,17,18)
InChIKeyJEPUOKOELJWIPD-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 17964808
N1-((1-hydroxycyclopentyl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49754576
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195509
2,2,2-trifluoro-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 64195523
N-[(1-hydroxycyclopentyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 64196701
2-[(1-hydroxycyclopentyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 65111460
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
4,4,4-trifluoro-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 65711380
4,4,4-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)butanamide
CID 66180086
3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66180903
N-[(1-hydroxycyclopentyl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78962880
2-amino-3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-methylpropanamide
CID 79811926

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide (CID 103310184) is 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide is O=C(NCC1(O)CCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
The InChIKey is JEPUOKOELJWIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO2/c11-9(12,13)6(10(14,15)16)7(18)17-5-8(19)3-1-2-4-8/h6,19H,1-5H2,(H,17,18).
What are the key properties of 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide has a molecular weight of 293.21 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).