[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate

C11H19FN2O3 — CID 174770020

IUPAC[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(C(=O)NCCF)CC1
InChIInChI=1S/C11H19FN2O3/c1-10(2,3)14-9(16)17-11(4-5-11)8(15)13-7-6-12/h4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyXIBXPKOCYBOPEC-UHFFFAOYSA-N
MW246.28 g/mol
LogP1.13
Rot. Bonds4

About [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate

[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate (PubChem CID 174770020) has the molecular formula C11H19FN2O3 and a molecular weight of 246.28 g/mol. Its IUPAC name is [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate
PubChem CID174770020
Molecular FormulaC11H19FN2O3
Molecular Weight246.28 g/mol
Exact Mass246.14
IUPAC Name[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(C(=O)NCCF)CC1
InChIInChI=1S/C11H19FN2O3/c1-10(2,3)14-9(16)17-11(4-5-11)8(15)13-7-6-12/h4-7H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyXIBXPKOCYBOPEC-UHFFFAOYSA-N
XLogP1.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-(2-fluoroethyl)carbamate
CID 14512865
[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516
N-tert-butyl-1-hydroxycyclopropane-1-carboxamide
CID 139520715
[4-(methoxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91287011
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
1-N'-tert-butyl-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979327
2-(tert-butylcarbamoyloxy)ethyl N-tert-butylcarbamate
CID 176596941
2-amino-N-(2-fluoroethyl)-2-methylpropanamide
CID 130504084
tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate
CID 174616209
(1-amino-4-methylsulfonylcyclohexyl) N-tert-butylcarbamate
CID 174529316
[1-[4-(3,4-dichlorophenyl)but-3-yn-2-ylcarbamoyl]cyclopentyl] N-tert-butylcarbamate
CID 170651077
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate?
The IUPAC name of [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate (CID 174770020) is [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(C(=O)NCCF)CC1.
What is the InChIKey of [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate?
The InChIKey is XIBXPKOCYBOPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2O3/c1-10(2,3)14-9(16)17-11(4-5-11)8(15)13-7-6-12/h4-7H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate?
[1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate has a molecular weight of 246.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroethylcarbamoyl)cyclopropyl] N-tert-butylcarbamate is sourced from PubChem (CID 174770020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).