(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate

C14H24FNO2 — CID 67760944

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC2CC2F)C1
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)
InChIKeyOHAARSNJDNSEPH-UHFFFAOYSA-N
MW257.35 g/mol
LogP3.28
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate (PubChem CID 67760944) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate
PubChem CID67760944
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate
SMILESCC1CCC(C(C)C)C(OC(=O)NC2CC2F)C1
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)
InChIKeyOHAARSNJDNSEPH-UHFFFAOYSA-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 (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate (CID 67760944) is (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate is CC1CCC(C(C)C)C(OC(=O)NC2CC2F)C1.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate?
The InChIKey is OHAARSNJDNSEPH-UHFFFAOYSA-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).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-(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 (5-methyl-2-propan-2-ylcyclohexyl) N-(2-fluorocyclopropyl)carbamate is sourced from PubChem (CID 67760944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).