cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

C12H18F3NO3 — CID 114091827

IUPACcis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)N(C)CC(F)(F)F)[C@H](C(=O)O)C1
InChIInChI=1S/C12H18F3NO3/c1-3-7-4-8(9(5-7)11(18)19)10(17)16(2)6-12(13,14)15/h7-9H,3-6H2,1-2H3,(H,18,19)/t7?,8-,9+/m0/s1
InChIKeyRJIGSGATKFEFMW-SXNZSPLWSA-N
MW281.27 g/mol
LogP2.14
Rot. Bonds4

About cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid

cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114091827) has the molecular formula C12H18F3NO3 and a molecular weight of 281.27 g/mol. Its IUPAC name is cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114091827
Molecular FormulaC12H18F3NO3
Molecular Weight281.27 g/mol
Exact Mass281.12
IUPAC Namecis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCCC1C[C@H](C(=O)N(C)CC(F)(F)F)[C@H](C(=O)O)C1
InChIInChI=1S/C12H18F3NO3/c1-3-7-4-8(9(5-7)11(18)19)10(17)16(2)6-12(13,14)15/h7-9H,3-6H2,1-2H3,(H,18,19)/t7?,8-,9+/m0/s1
InChIKeyRJIGSGATKFEFMW-SXNZSPLWSA-N
XLogP2.14
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976777
4-ethyl-2-[methyl(2-methylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511275
4-ethyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexane-1-carboxylic acid
CID 63067435
4-ethyl-2-[methyl-[3-(methylamino)-3-oxopropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 106914945
2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60948916
2-[bis(2-hydroxyethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511610
5-amino-N,2,4-trimethyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 102706568
2-[1-cyclopropylethyl(methyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511437
4-ethyl-2-[methyl-(2-methylcyclohexyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511568
4-ethyl-2-[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114511706
2-[butyl(ethyl)carbamoyl]-4-ethylcyclopentane-1-carboxylic acid
CID 114511258
4-ethyl-2-[ethyl(prop-2-enyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114512018

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114091827) is cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is CCC1C[C@H](C(=O)N(C)CC(F)(F)F)[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is RJIGSGATKFEFMW-SXNZSPLWSA-N. The full InChI is InChI=1S/C12H18F3NO3/c1-3-7-4-8(9(5-7)11(18)19)10(17)16(2)6-12(13,14)15/h7-9H,3-6H2,1-2H3,(H,18,19)/t7?,8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid?
cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-ethyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114091827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).