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

C11H18FNO2 — CID 170111063

IUPAC[(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@H]1CC[C@@H](OC(=O)NC2(C)CC2)[C@H]1F
InChIInChI=1S/C11H18FNO2/c1-7-3-4-8(9(7)12)15-10(14)13-11(2)5-6-11/h7-9H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9-/m0/s1
InChIKeyJHSUPVDLRFECEU-YIZRAAEISA-N
MW215.27 g/mol
LogP2.40
Rot. Bonds2

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

[(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170111063) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID170111063
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name[(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@H]1CC[C@@H](OC(=O)NC2(C)CC2)[C@H]1F
InChIInChI=1S/C11H18FNO2/c1-7-3-4-8(9(7)12)15-10(14)13-11(2)5-6-11/h7-9H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9-/m0/s1
InChIKeyJHSUPVDLRFECEU-YIZRAAEISA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170111063) is [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate is C[C@H]1CC[C@@H](OC(=O)NC2(C)CC2)[C@H]1F.
What is the InChIKey of [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is JHSUPVDLRFECEU-YIZRAAEISA-N. The full InChI is InChI=1S/C11H18FNO2/c1-7-3-4-8(9(7)12)15-10(14)13-11(2)5-6-11/h7-9H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9-/m0/s1.
What are the key properties of [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 215.27 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S)-2-fluoro-3-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170111063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).