tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate

C11H20FNO2 — CID 126652040

IUPACtert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate
SMILESC[C@@H]1[C@H](F)CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO2/c1-7-8(12)5-6-9(7)13-10(14)15-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9-/m1/s1
InChIKeyMXILWUQGJQYRPI-IWSPIJDZSA-N
MW217.28 g/mol
LogP2.65
Rot. Bonds1

About tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate

tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate (PubChem CID 126652040) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate
PubChem CID126652040
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nametert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate
SMILESC[C@@H]1[C@H](F)CC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C11H20FNO2/c1-7-8(12)5-6-9(7)13-10(14)15-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9-/m1/s1
InChIKeyMXILWUQGJQYRPI-IWSPIJDZSA-N
XLogP2.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-[(1S,2S,4S)-4-amino-2-fluorocyclohexyl]carbamate
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tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
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tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
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tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(4R)-4-fluoropyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
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tert-butyl N-[(1S,2S,4S)-4-amino-2-methylcyclohexyl]carbamate
CID 86650624
tert-butyl N-[(3R,4R)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
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tert-butyl N-[(3S,4S)-4-fluoropyrrolidin-3-yl]carbamate;hydrochloride
CID 132585275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate (CID 126652040) is tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate is C[C@@H]1[C@H](F)CC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate?
The InChIKey is MXILWUQGJQYRPI-IWSPIJDZSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-7-8(12)5-6-9(7)13-10(14)15-11(2,3)4/h7-9H,5-6H2,1-4H3,(H,13,14)/t7-,8-,9-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate?
tert-butyl N-[(1R,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate has a molecular weight of 217.28 g/mol, XLogP of 2.65, 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,2S,3R)-3-fluoro-2-methylcyclopentyl]carbamate is sourced from PubChem (CID 126652040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).