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

C11H15F6NO2 — CID 103310220

IUPAC3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(CO)CCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c12-10(13,14)7(11(15,16)17)8(20)18-5-9(6-19)3-1-2-4-9/h7,19H,1-6H2,(H,18,20)
InChIKeyZMCOWIUQUZIQTG-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.40
Rot. Bonds4

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

3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310220) has the molecular formula C11H15F6NO2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide
PubChem CID103310220
Molecular FormulaC11H15F6NO2
Molecular Weight307.23 g/mol
Exact Mass307.10
IUPAC Name3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(CO)CCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c12-10(13,14)7(11(15,16)17)8(20)18-5-9(6-19)3-1-2-4-9/h7,19H,1-6H2,(H,18,20)
InChIKeyZMCOWIUQUZIQTG-UHFFFAOYSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 65833415
2,2,2-trifluoro-N-[(2-hydroxycyclopentyl)methyl]acetamide
CID 65833844
4,4,4-trifluoro-N-[(2-hydroxycyclopentyl)methyl]butanamide
CID 65834820
3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]propanamide
CID 65925022
2,2,2-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]acetamide
CID 65926612
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929444
4,4-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 81932811
3,3,3-Trifluoro-2-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]propanoic acid
CID 103260333
2,2,3,3-tetrafluoro-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 103280392
1-[[[3,3,3-Trifluoro-2-(trifluoromethyl)propanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 103309264
3,3,3-trifluoro-N-[(2-hydroxycyclopentyl)methyl]-2-(trifluoromethyl)propanamide
CID 103310191
3,3,3-trifluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide
CID 103310192

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide (CID 103310220) is 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide is O=C(NCC1(CO)CCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide?
The InChIKey is ZMCOWIUQUZIQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO2/c12-10(13,14)7(11(15,16)17)8(20)18-5-9(6-19)3-1-2-4-9/h7,19H,1-6H2,(H,18,20).
What are the key properties of 3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide has a molecular weight of 307.23 g/mol, XLogP of 2.40, 4 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-(hydroxymethyl)cyclopentyl]methyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).