hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate

C19H21F2NO2 — CID 91229817

IUPAChexyl N-(2,6-difluorophenyl)-N-phenylcarbamate
SMILESCCCCCCOC(=O)N(c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C19H21F2NO2/c1-2-3-4-8-14-24-19(23)22(15-10-6-5-7-11-15)18-16(20)12-9-13-17(18)21/h5-7,9-13H,2-4,8,14H2,1H3
InChIKeyCKYVRSKCNRNSAW-UHFFFAOYSA-N
MW333.38 g/mol
LogP5.82
Rot. Bonds7

About hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate

hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate (PubChem CID 91229817) has the molecular formula C19H21F2NO2 and a molecular weight of 333.38 g/mol. Its IUPAC name is hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate.

Molecular Properties

Compound Namehexyl N-(2,6-difluorophenyl)-N-phenylcarbamate
PubChem CID91229817
Molecular FormulaC19H21F2NO2
Molecular Weight333.38 g/mol
Exact Mass333.15
IUPAC Namehexyl N-(2,6-difluorophenyl)-N-phenylcarbamate
SMILESCCCCCCOC(=O)N(c1ccccc1)c1c(F)cccc1F
InChIInChI=1S/C19H21F2NO2/c1-2-3-4-8-14-24-19(23)22(15-10-6-5-7-11-15)18-16(20)12-9-13-17(18)21/h5-7,9-13H,2-4,8,14H2,1H3
InChIKeyCKYVRSKCNRNSAW-UHFFFAOYSA-N
XLogP5.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.38
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate?
The IUPAC name of hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate (CID 91229817) is hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate.
What is the SMILES notation for hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate?
The canonical SMILES for hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate is CCCCCCOC(=O)N(c1ccccc1)c1c(F)cccc1F.
What is the InChIKey of hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate?
The InChIKey is CKYVRSKCNRNSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO2/c1-2-3-4-8-14-24-19(23)22(15-10-6-5-7-11-15)18-16(20)12-9-13-17(18)21/h5-7,9-13H,2-4,8,14H2,1H3.
What are the key properties of hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate?
hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate has a molecular weight of 333.38 g/mol, XLogP of 5.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-(2,6-difluorophenyl)-N-phenylcarbamate is sourced from PubChem (CID 91229817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).