cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide

C11H14F6N2O2 — CID 97068565

IUPACcis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCC[C@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H14F6N2O2/c12-10(13,14)4-18-8(20)6-2-1-3-7(6)9(21)19-5-11(15,16)17/h6-7H,1-5H2,(H,18,20)(H,19,21)/t6-,7+
InChIKeyTZHQJEUCLWEAQA-KNVOCYPGSA-N
MW320.23 g/mol
LogP1.76
Rot. Bonds4

About cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide

cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide (PubChem CID 97068565) has the molecular formula C11H14F6N2O2 and a molecular weight of 320.23 g/mol. Its IUPAC name is cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
PubChem CID97068565
Molecular FormulaC11H14F6N2O2
Molecular Weight320.23 g/mol
Exact Mass320.10
IUPAC Namecis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide
SMILESO=C(NCC(F)(F)F)[C@H]1CCC[C@H]1C(=O)NCC(F)(F)F
InChIInChI=1S/C11H14F6N2O2/c12-10(13,14)4-18-8(20)6-2-1-3-7(6)9(21)19-5-11(15,16)17/h6-7H,1-5H2,(H,18,20)(H,19,21)/t6-,7+
InChIKeyTZHQJEUCLWEAQA-KNVOCYPGSA-N
XLogP1.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2,2-trifluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977876
2-(2,2,2-trifluoroethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 43396587
2-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103979063
9-amino-N-(2,2,2-trifluoroethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120985035
6-methyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 24704463
4-amino-2-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 62782165
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
1-cyclobutyl-1-methyl-3-(2,2,2-trifluoroethyl)urea
CID 115662998
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
1-cyclohexyl-1-(2-hydroxyethyl)-3-(2,2,2-trifluoroethyl)urea
CID 115620424
(2S)-N-(2,2,2-trifluoroethyl)aziridine-2-carboxamide
CID 97184752
2-(2,3-dihydroindole-1-carbonyl)-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 51166570

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide?
The IUPAC name of cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide (CID 97068565) is cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide.
What is the SMILES notation for cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide?
The canonical SMILES for cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide is O=C(NCC(F)(F)F)[C@H]1CCC[C@H]1C(=O)NCC(F)(F)F.
What is the InChIKey of cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide?
The InChIKey is TZHQJEUCLWEAQA-KNVOCYPGSA-N. The full InChI is InChI=1S/C11H14F6N2O2/c12-10(13,14)4-18-8(20)6-2-1-3-7(6)9(21)19-5-11(15,16)17/h6-7H,1-5H2,(H,18,20)(H,19,21)/t6-,7+.
What are the key properties of cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide?
cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide has a molecular weight of 320.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-1-N,2-N-bis(2,2,2-trifluoroethyl)cyclopentane-1,2-dicarboxamide is sourced from PubChem (CID 97068565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).