(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

C7H10F4N2O — CID 129321060

IUPAC(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@]1(F)CCNC1
InChIInChI=1S/C7H10F4N2O/c8-6(1-2-12-3-6)5(14)13-4-7(9,10)11/h12H,1-4H2,(H,13,14)/t6-/m0/s1
InChIKeyDJLOICJALOBOBC-LURJTMIESA-N
MW214.16 g/mol
LogP0.37
Rot. Bonds2

About (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (PubChem CID 129321060) has the molecular formula C7H10F4N2O and a molecular weight of 214.16 g/mol. Its IUPAC name is (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
PubChem CID129321060
Molecular FormulaC7H10F4N2O
Molecular Weight214.16 g/mol
Exact Mass214.07
IUPAC Name(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(F)(F)F)[C@]1(F)CCNC1
InChIInChI=1S/C7H10F4N2O/c8-6(1-2-12-3-6)5(14)13-4-7(9,10)11/h12H,1-4H2,(H,13,14)/t6-/m0/s1
InChIKeyDJLOICJALOBOBC-LURJTMIESA-N
XLogP0.37
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.16
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726405
N-ethyl-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130629041
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
2-[(3-methylpyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 107424383
1-iodo-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 149123675
N-(1-ethylcyclobutyl)-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 75513772
3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 130737034
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 80587530
1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 144653183
4-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide;hydrochloride
CID 120924691
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 130637858
N-[(4-bromo-2-fluorophenyl)methyl]-3-fluoropyrrolidine-3-carboxamide;hydrochloride
CID 86780208

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide (CID 129321060) is (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is O=C(NCC(F)(F)F)[C@]1(F)CCNC1.
What is the InChIKey of (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
The InChIKey is DJLOICJALOBOBC-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F4N2O/c8-6(1-2-12-3-6)5(14)13-4-7(9,10)11/h12H,1-4H2,(H,13,14)/t6-/m0/s1.
What are the key properties of (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide?
(3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide has a molecular weight of 214.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 129321060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).