2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide

C9H14F3NO — CID 107415477

IUPAC2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-6-2-3-7(4-6)5-13-8(14)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyPPRUKKZPTKXWRA-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.10
Rot. Bonds2

About 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide

2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide (PubChem CID 107415477) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
PubChem CID107415477
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide
SMILESCC1CCC(CNC(=O)C(F)(F)F)C1
InChIInChI=1S/C9H14F3NO/c1-6-2-3-7(4-6)5-13-8(14)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14)
InChIKeyPPRUKKZPTKXWRA-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-methyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413148
(3-methylcyclopentyl)methylurea
CID 20542807
3-amino-3-hydroxyimino-2,2-dimethyl-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107414834
N-[(3-methylcyclopentyl)methyl]butanamide
CID 107415486
2-bromo-N-[(3-methylcyclopentyl)methyl]acetamide
CID 107412345
2-methyl-N-[(3-methylcyclopentyl)methyl]-2-piperazin-1-ylpropanamide
CID 107413127
2,2-dimethyl-3-[(4-methylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 82820923
3-amino-3-methyl-N-[(3-methylcyclopentyl)methyl]butanamide
CID 107413266
2-methyl-3-(methylamino)-N-[(3-methylcyclopentyl)methyl]propanamide
CID 107413053
2,2,2-trifluoro-N-(thian-4-ylmethyl)acetamide
CID 115625197
N-[(3-methylcyclopentyl)methyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 107413534
3,3,3-trifluoro-2-[[(3-methylcyclopentyl)methylamino]methyl]propanoic acid
CID 107414113

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide (CID 107415477) is 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide is CC1CCC(CNC(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide?
The InChIKey is PPRUKKZPTKXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6-2-3-7(4-6)5-13-8(14)9(10,11)12/h6-7H,2-5H2,1H3,(H,13,14).
What are the key properties of 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide?
2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide has a molecular weight of 209.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-methylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 107415477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).