tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate

C18H26FNO2 — CID 90960498

IUPACtert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
SMILESCC1CCC(c2ccc(NC(=O)OC(C)(C)C)c(F)c2)CC1
InChIInChI=1S/C18H26FNO2/c1-12-5-7-13(8-6-12)14-9-10-16(15(19)11-14)20-17(21)22-18(2,3)4/h9-13H,5-8H2,1-4H3,(H,20,21)
InChIKeyGVGTUIBIWZDPGN-UHFFFAOYSA-N
MW307.41 g/mol
LogP5.47
Rot. Bonds2

About tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate

tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate (PubChem CID 90960498) has the molecular formula C18H26FNO2 and a molecular weight of 307.41 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
PubChem CID90960498
Molecular FormulaC18H26FNO2
Molecular Weight307.41 g/mol
Exact Mass307.19
IUPAC Nametert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
SMILESCC1CCC(c2ccc(NC(=O)OC(C)(C)C)c(F)c2)CC1
InChIInChI=1S/C18H26FNO2/c1-12-5-7-13(8-6-12)14-9-10-16(15(19)11-14)20-17(21)22-18(2,3)4/h9-13H,5-8H2,1-4H3,(H,20,21)
InChIKeyGVGTUIBIWZDPGN-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.41
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-(2,5-difluorophenyl)carbamate
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tert-butyl N-[2-fluoro-4-[4-(hydroxymethyl)cyclohexen-1-yl]phenyl]carbamate
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tert-butyl N-[5-cyclopropyl-1-(3-fluorophenyl)pyrazol-4-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate (CID 90960498) is tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate is CC1CCC(c2ccc(NC(=O)OC(C)(C)C)c(F)c2)CC1.
What is the InChIKey of tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate?
The InChIKey is GVGTUIBIWZDPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO2/c1-12-5-7-13(8-6-12)14-9-10-16(15(19)11-14)20-17(21)22-18(2,3)4/h9-13H,5-8H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate?
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate has a molecular weight of 307.41 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate is sourced from PubChem (CID 90960498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).