2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid

C10H11F6NO3 — CID 103309208

IUPAC2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO3/c11-9(12,13)6(10(14,15)16)7(18)17-5-3-1-2-4(5)8(19)20/h4-6H,1-3H2,(H,17,18)(H,19,20)
InChIKeyCUSFPRICXNIRTQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.10
Rot. Bonds3

About 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid

2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 103309208) has the molecular formula C10H11F6NO3 and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID103309208
Molecular FormulaC10H11F6NO3
Molecular Weight307.19 g/mol
Exact Mass307.06
IUPAC Name2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1NC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F6NO3/c11-9(12,13)6(10(14,15)16)7(18)17-5-3-1-2-4(5)8(19)20/h4-6H,1-3H2,(H,17,18)(H,19,20)
InChIKeyCUSFPRICXNIRTQ-UHFFFAOYSA-N
XLogP2.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-2-[[(1,1-dimethylethoxy)carbonyl]amino]-4,4-difluoro-Cyclopentanecarboxylicacid
CID 126970441
(1S,2S)-2-(tert-butoxycarbonylamino)-3,3-difluoro-cyclopentanecarboxylic acid
CID 42640327
(1R,2S)-2-acetamidocyclopentane-1-carboxylic acid
CID 129926169
2-[(2,2,2-Trifluoroacetyl)amino]cyclohexane-1-carboxylic acid
CID 12512583
rac-(1R,2S)-2-(trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 12512584
cis-2-((tert-Butoxycarbonyl)amino)-4,4-difluorocyclopentane-1-carboxylic acid
CID 54059793
2-((tert-Butoxycarbonyl)amino)-4,4-difluorocyclopentane-1-carboxylic acid
CID 54059794
3-[(2,2-Difluoro-4-methylpentanoyl)amino]-4,4,4-trifluorobutanoic acid
CID 57700495
4,4,4-Trifluoro-3-(3,3,5-trimethylhexanoylamino)butanoic acid
CID 57700513
cis-2-(Tert-butoxycarbonylamino)-4,4-difluoro-cyclopentanecarboxylic acid
CID 67778693
(1S,2R)-2-(trifluoroacetamido)cyclohexane-1-carboxylic acid
CID 84701109
2-[(2,2,2-Trifluoroacetyl)amino]cyclohexane-1-carboxylic acid;hydrochloride
CID 88466620

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid (CID 103309208) is 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1NC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is CUSFPRICXNIRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F6NO3/c11-9(12,13)6(10(14,15)16)7(18)17-5-3-1-2-4(5)8(19)20/h4-6H,1-3H2,(H,17,18)(H,19,20).
What are the key properties of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid?
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103309208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).