tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate

C10H17F2NO2 — CID 58484972

IUPACtert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-4-5-10(11,12)6-7/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeySCXQXMBCRMLPGO-SSDOTTSWSA-N
MW221.25 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate

tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate (PubChem CID 58484972) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
PubChem CID58484972
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Nametert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-4-5-10(11,12)6-7/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1
InChIKeySCXQXMBCRMLPGO-SSDOTTSWSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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methyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-methylsulfanylcyclopentane-1-carboxylate
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tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
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1-cyclopropyl-3-(3,3-difluorocyclopentyl)urea
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate (CID 58484972) is tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC(F)(F)C1.
What is the InChIKey of tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate?
The InChIKey is SCXQXMBCRMLPGO-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-4-5-10(11,12)6-7/h7H,4-6H2,1-3H3,(H,13,14)/t7-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate?
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate has a molecular weight of 221.25 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate is sourced from PubChem (CID 58484972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).