tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate

C9H16FNO2 — CID 178194635

IUPACtert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1C[C@H]1F
InChIInChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-6-4-7(6)10/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyOBTGIMMQFVKMIP-RNFRBKRXSA-N
MW189.23 g/mol
LogP1.87
Rot. Bonds2

About tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate

tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate (PubChem CID 178194635) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
PubChem CID178194635
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Nametert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H]1C[C@H]1F
InChIInChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-6-4-7(6)10/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKeyOBTGIMMQFVKMIP-RNFRBKRXSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[(1R,2S)-2-(trifluoromethyl)cyclobutyl]methyl]carbamate
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tert-butyl N-[[2-(aminooxymethyl)cyclopropyl]methyl]carbamate
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tert-butyl N-[[(1S,2R,4R)-2-hydroxy-4-methylcyclohexyl]methyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
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tert-butyl N-[[4-(difluoromethyl)pyrrolidin-3-yl]methyl]carbamate
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tert-butyl N-[[(1R,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate (CID 178194635) is tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@H]1C[C@H]1F.
What is the InChIKey of tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate?
The InChIKey is OBTGIMMQFVKMIP-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-9(2,3)13-8(12)11-5-6-4-7(6)10/h6-7H,4-5H2,1-3H3,(H,11,12)/t6-,7-/m1/s1.
What are the key properties of tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate?
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate has a molecular weight of 189.23 g/mol, XLogP of 1.87, 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-fluorocyclopropyl]methyl]carbamate is sourced from PubChem (CID 178194635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).