tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate

C11H19F2NO3 — CID 85349247

IUPACtert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CO)C(F)C1F
InChIInChI=1S/C11H19F2NO3/c1-11(2,3)17-10(16)14-7-4-6(5-15)8(12)9(7)13/h6-9,15H,4-5H2,1-3H3,(H,14,16)
InChIKeySBTCBCIPQUHFEF-UHFFFAOYSA-N
MW251.27 g/mol
LogP1.57
Rot. Bonds2

About tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate

tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate (PubChem CID 85349247) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate
PubChem CID85349247
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(CO)C(F)C1F
InChIInChI=1S/C11H19F2NO3/c1-11(2,3)17-10(16)14-7-4-6(5-15)8(12)9(7)13/h6-9,15H,4-5H2,1-3H3,(H,14,16)
InChIKeySBTCBCIPQUHFEF-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate (CID 85349247) is tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CC(CO)C(F)C1F.
What is the InChIKey of tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
The InChIKey is SBTCBCIPQUHFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c1-11(2,3)17-10(16)14-7-4-6(5-15)8(12)9(7)13/h6-9,15H,4-5H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate?
tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate has a molecular weight of 251.27 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-difluoro-4-(hydroxymethyl)cyclopentyl]carbamate is sourced from PubChem (CID 85349247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).