[(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate

C11H18FNO2 — CID 170112325

IUPAC[(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@H]1C[C@@H](F)[C@@H](OC(=O)NC2(C)CC2)C1
InChIInChI=1S/C11H18FNO2/c1-7-5-8(12)9(6-7)15-10(14)13-11(2)3-4-11/h7-9H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9-/m0/s1
InChIKeyKDUAHVFKSUNPPF-YIZRAAEISA-N
MW215.27 g/mol
LogP2.40
Rot. Bonds2

About [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate

[(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170112325) has the molecular formula C11H18FNO2 and a molecular weight of 215.27 g/mol. Its IUPAC name is [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
PubChem CID170112325
Molecular FormulaC11H18FNO2
Molecular Weight215.27 g/mol
Exact Mass215.13
IUPAC Name[(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@H]1C[C@@H](F)[C@@H](OC(=O)NC2(C)CC2)C1
InChIInChI=1S/C11H18FNO2/c1-7-5-8(12)9(6-7)15-10(14)13-11(2)3-4-11/h7-9H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9-/m0/s1
InChIKeyKDUAHVFKSUNPPF-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 [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate (CID 170112325) is [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate is C[C@H]1C[C@@H](F)[C@@H](OC(=O)NC2(C)CC2)C1.
What is the InChIKey of [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is KDUAHVFKSUNPPF-YIZRAAEISA-N. The full InChI is InChI=1S/C11H18FNO2/c1-7-5-8(12)9(6-7)15-10(14)13-11(2)3-4-11/h7-9H,3-6H2,1-2H3,(H,13,14)/t7-,8+,9-/m0/s1.
What are the key properties of [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate?
[(1S,2R,4R)-2-fluoro-4-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 [(1S,2R,4R)-2-fluoro-4-methylcyclopentyl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170112325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).