[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate

C14H24FNO2 — CID 10967142

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C14H24FNO2/c1-8(2)10-5-4-9(3)6-13(10)18-14(17)16-12-7-11(12)15/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12-,13-/m1/s1
InChIKeyOHAARSNJDNSEPH-KSSYENDESA-N
MW257.35 g/mol
LogP3.28
Rot. Bonds3

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate (PubChem CID 10967142) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate
PubChem CID10967142
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1C[C@@H]1F
InChIInChI=1S/C14H24FNO2/c1-8(2)10-5-4-9(3)6-13(10)18-14(17)16-12-7-11(12)15/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12-,13-/m1/s1
InChIKeyOHAARSNJDNSEPH-KSSYENDESA-N
XLogP3.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate (CID 10967142) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@@H]1C[C@@H]1F.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
The InChIKey is OHAARSNJDNSEPH-KSSYENDESA-N. The full InChI is InChI=1S/C14H24FNO2/c1-8(2)10-5-4-9(3)6-13(10)18-14(17)16-12-7-11(12)15/h8-13H,4-7H2,1-3H3,(H,16,17)/t9-,10+,11+,12-,13-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate has a molecular weight of 257.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R,2S)-2-fluorocyclopropyl]carbamate is sourced from PubChem (CID 10967142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).