propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate

C8H13F2NO2 — CID 139305761

IUPACpropan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-4(2)13-8(12)11-6-3-5(6)7(9)10/h4-7H,3H2,1-2H3,(H,11,12)/t5-,6-/m0/s1
InChIKeyGCXWTESUZMOVEQ-WDSKDSINSA-N
MW193.19 g/mol
LogP1.77
Rot. Bonds3

About propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate

propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate (PubChem CID 139305761) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate
PubChem CID139305761
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Namepropan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate
SMILESCC(C)OC(=O)N[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-4(2)13-8(12)11-6-3-5(6)7(9)10/h4-7H,3H2,1-2H3,(H,11,12)/t5-,6-/m0/s1
InChIKeyGCXWTESUZMOVEQ-WDSKDSINSA-N
XLogP1.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate?
The IUPAC name of propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate (CID 139305761) is propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate.
What is the SMILES notation for propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate?
The canonical SMILES for propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate is CC(C)OC(=O)N[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate?
The InChIKey is GCXWTESUZMOVEQ-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-4(2)13-8(12)11-6-3-5(6)7(9)10/h4-7H,3H2,1-2H3,(H,11,12)/t5-,6-/m0/s1.
What are the key properties of propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate?
propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate has a molecular weight of 193.19 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[(1S,2S)-2-(difluoromethyl)cyclopropyl]carbamate is sourced from PubChem (CID 139305761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).