tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate

C8H13F2NO2 — CID 52908307

IUPACtert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-5-4-8(5,9)10/h5H,4H2,1-3H3,(H,11,12)/t5-/m0/s1
InChIKeyNZWXSCJTYUJHFF-YFKPBYRVSA-N
MW193.19 g/mol
LogP1.92
Rot. Bonds1

About tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate

tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate (PubChem CID 52908307) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
PubChem CID52908307
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Nametert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-5-4-8(5,9)10/h5H,4H2,1-3H3,(H,11,12)/t5-/m0/s1
InChIKeyNZWXSCJTYUJHFF-YFKPBYRVSA-N
XLogP1.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
trans-methyl (1S,4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 140874834
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
methyl (2S)-4,4-difluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylate
CID 175551974
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-(2-fluoro-2-penta-2,4-dien-2-ylcyclopropyl)carbamate
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tert-butyl N-[(3R)-5,5-difluoropiperidin-3-yl]carbamate
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tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate (CID 52908307) is tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC1(F)F.
What is the InChIKey of tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate?
The InChIKey is NZWXSCJTYUJHFF-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-5-4-8(5,9)10/h5H,4H2,1-3H3,(H,11,12)/t5-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate?
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate has a molecular weight of 193.19 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate is sourced from PubChem (CID 52908307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).