N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

C9H13F3N2O — CID 166513683

IUPACN-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCNC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(2-3-8)7(15)14-6-1-4-13-5-6/h6,13H,1-5H2,(H,14,15)/t6-/m1/s1
InChIKeyCBTICMKEQMACDW-ZCFIWIBFSA-N
MW222.21 g/mol
LogP0.81
Rot. Bonds2

About N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 166513683) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID166513683
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC NameN-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCNC1)C1(C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O/c10-9(11,12)8(2-3-8)7(15)14-6-1-4-13-5-6/h6,13H,1-5H2,(H,14,15)/t6-/m1/s1
InChIKeyCBTICMKEQMACDW-ZCFIWIBFSA-N
XLogP0.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 130637858
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
1-methyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 166176322
N-(1-methylazetidin-3-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 162614970
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide
CID 175146889
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 161088064
1,2-dimethyl-N-[(3S)-pyrrolidin-3-yl]cyclobutane-1-carboxamide;hydrochloride
CID 175146888
2-methyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 131019627
2,2-difluoro-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 131131747
1-methyl-N-piperidin-3-ylcyclopropane-1-carboxamide
CID 126972708
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 166513683) is N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is O=C(N[C@@H]1CCNC1)C1(C(F)(F)F)CC1.
What is the InChIKey of N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is CBTICMKEQMACDW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13F3N2O/c10-9(11,12)8(2-3-8)7(15)14-6-1-4-13-5-6/h6,13H,1-5H2,(H,14,15)/t6-/m1/s1.
What are the key properties of N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 222.21 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-pyrrolidin-3-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166513683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).