(2-methylcyclohexyl) N-(4-fluorophenyl)carbamate

C14H18FNO2 — CID 4197573

IUPAC(2-methylcyclohexyl) N-(4-fluorophenyl)carbamate
SMILESCC1CCCCC1OC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-10-4-2-3-5-13(10)18-14(17)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H,16,17)
InChIKeyIEXKJDWCPMMFHZ-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.95
Rot. Bonds2

About (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate

(2-methylcyclohexyl) N-(4-fluorophenyl)carbamate (PubChem CID 4197573) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(2-methylcyclohexyl) N-(4-fluorophenyl)carbamate
PubChem CID4197573
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(2-methylcyclohexyl) N-(4-fluorophenyl)carbamate
SMILESCC1CCCCC1OC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H18FNO2/c1-10-4-2-3-5-13(10)18-14(17)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H,16,17)
InChIKeyIEXKJDWCPMMFHZ-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate?
The IUPAC name of (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate (CID 4197573) is (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate?
The canonical SMILES for (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate is CC1CCCCC1OC(=O)Nc1ccc(F)cc1.
What is the InChIKey of (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate?
The InChIKey is IEXKJDWCPMMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10-4-2-3-5-13(10)18-14(17)16-12-8-6-11(15)7-9-12/h6-10,13H,2-5H2,1H3,(H,16,17).
What are the key properties of (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate?
(2-methylcyclohexyl) N-(4-fluorophenyl)carbamate has a molecular weight of 251.30 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclohexyl) N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 4197573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).