pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate

C12H13F3N2O3 — CID 115565228

IUPACpyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCNC1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)20-9-3-1-8(2-4-9)17-11(18)19-10-5-6-16-7-10/h1-4,10,16H,5-7H2,(H,17,18)
InChIKeyXVJCHXRRWOTYJE-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.50
Rot. Bonds3

About pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate

pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate (PubChem CID 115565228) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Namepyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
PubChem CID115565228
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Namepyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCNC1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)20-9-3-1-8(2-4-9)17-11(18)19-10-5-6-16-7-10/h1-4,10,16H,5-7H2,(H,17,18)
InChIKeyXVJCHXRRWOTYJE-UHFFFAOYSA-N
XLogP2.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate
CID 115565230
pyrrolidin-3-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337084
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
2-piperidin-3-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 62689337
2-[4-(trifluoromethoxy)phenyl]ethyl N-[4-[(3R)-pyrrolidin-3-yl]phenyl]carbamate
CID 175718234
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
(1-benzylpyrrolidin-3-yl) N-[4-(trifluoromethoxy)phenyl]carbamate
CID 53235333
pyrrolidin-3-yl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 67430633
(2R)-2,3,3,3-tetrafluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2316804
piperidin-4-yl N-(4-nitrophenyl)carbamate
CID 79337999
piperidin-4-yl N-[3-(trifluoromethyl)phenyl]carbamate
CID 79337898

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
The IUPAC name of pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate (CID 115565228) is pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate.
What is the SMILES notation for pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
The canonical SMILES for pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate is O=C(Nc1ccc(OC(F)(F)F)cc1)OC1CCNC1.
What is the InChIKey of pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
The InChIKey is XVJCHXRRWOTYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)20-9-3-1-8(2-4-9)17-11(18)19-10-5-6-16-7-10/h1-4,10,16H,5-7H2,(H,17,18).
What are the key properties of pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate?
pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate has a molecular weight of 290.24 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-3-yl N-[4-(trifluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 115565228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).