benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate

C12H12F3NO2 — CID 138980192

IUPACbenzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
SMILESO=C(N[C@@H]1C[C@H]1C(F)(F)F)OCc1ccccc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-6-10(9)16-11(17)18-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,16,17)/t9-,10-/m1/s1
InChIKeyBVRFQBARVLEUPV-NXEZZACHSA-N
MW259.23 g/mol
LogP2.86
Rot. Bonds3

About benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate

benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate (PubChem CID 138980192) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
PubChem CID138980192
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Namebenzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate
SMILESO=C(N[C@@H]1C[C@H]1C(F)(F)F)OCc1ccccc1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-6-10(9)16-11(17)18-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,16,17)/t9-,10-/m1/s1
InChIKeyBVRFQBARVLEUPV-NXEZZACHSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 69099067
benzyl N-[(1S,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 70892702
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2-phenylcyclopropyl)carbamate
CID 12682022
methyl (1R,2R,4S,5S)-4,5-dihydroxy-2-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 102370724
benzyl N-[(1R,2R)-2-aminocyclobutyl]carbamate
CID 135393121
benzyl N-[(1S,2R)-4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 58822147
benzyl N-[4-hydroxy-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 14423415
benzyl N-[(1R,2R,4S,5S)-4-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]carbamate
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benzyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate
CID 91757646
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CID 70091222

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate?
The IUPAC name of benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate (CID 138980192) is benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate.
What is the SMILES notation for benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate?
The canonical SMILES for benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate is O=C(N[C@@H]1C[C@H]1C(F)(F)F)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate?
The InChIKey is BVRFQBARVLEUPV-NXEZZACHSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-6-10(9)16-11(17)18-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,16,17)/t9-,10-/m1/s1.
What are the key properties of benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate?
benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate has a molecular weight of 259.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]carbamate is sourced from PubChem (CID 138980192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).