tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate

C11H19F2NO2 — CID 96581677

IUPACtert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(F)F
InChIInChI=1S/C11H19F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyRTJXKBCOFPFTAZ-HTQZYQBOSA-N
MW235.27 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate (PubChem CID 96581677) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate
PubChem CID96581677
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nametert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(F)F
InChIInChI=1S/C11H19F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1
InChIKeyRTJXKBCOFPFTAZ-HTQZYQBOSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate (CID 96581677) is tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(F)F.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate?
The InChIKey is RTJXKBCOFPFTAZ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate has a molecular weight of 235.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-(difluoromethyl)cyclopentyl]carbamate is sourced from PubChem (CID 96581677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).