cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide

C12H17F3N2O2 — CID 136587386

IUPACcis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)9-3-4-17(6-9)11(19)8-2-1-7(5-8)10(16)18/h7-9H,1-6H2,(H2,16,18)/t7-,8+,9?/m1/s1
InChIKeyBXAVMRGPVCWIMZ-WGTSGOJVSA-N
MW278.27 g/mol
LogP1.30
Rot. Bonds2

About cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide

cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide (PubChem CID 136587386) has the molecular formula C12H17F3N2O2 and a molecular weight of 278.27 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide
PubChem CID136587386
Molecular FormulaC12H17F3N2O2
Molecular Weight278.27 g/mol
Exact Mass278.12
IUPAC Namecis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C(F)(F)F)C2)C1
InChIInChI=1S/C12H17F3N2O2/c13-12(14,15)9-3-4-17(6-9)11(19)8-2-1-7(5-8)10(16)18/h7-9H,1-6H2,(H2,16,18)/t7-,8+,9?/m1/s1
InChIKeyBXAVMRGPVCWIMZ-WGTSGOJVSA-N
XLogP1.30
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

pyrrolidin-3-yl-[3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 121201194
cyclopropyl-[(3R)-3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97005184
3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 68960717
trans-(1R,3R)-3-[4-(trifluoromethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124513759
[(2R)-pyrrolidin-2-yl]-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 129320770
cis-(1R,3S)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 90020228
cis-(1S,3R)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 130860648
[3-(1-aminoethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 115969513
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
(3S)-1-[1-(2,2,2-trifluoroethyl)piperidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94512781
[3-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 114960327
[(3S)-pyrrolidin-3-yl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94916279

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide (CID 136587386) is cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide is NC(=O)[C@@H]1CC[C@H](C(=O)N2CCC(C(F)(F)F)C2)C1.
What is the InChIKey of cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide?
The InChIKey is BXAVMRGPVCWIMZ-WGTSGOJVSA-N. The full InChI is InChI=1S/C12H17F3N2O2/c13-12(14,15)9-3-4-17(6-9)11(19)8-2-1-7(5-8)10(16)18/h7-9H,1-6H2,(H2,16,18)/t7-,8+,9?/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide has a molecular weight of 278.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(trifluoromethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 136587386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).