(4,4-difluorocyclohexyl) N-phenylcarbamate

C13H15F2NO2 — CID 90110321

IUPAC(4,4-difluorocyclohexyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCC(F)(F)CC1
InChIInChI=1S/C13H15F2NO2/c14-13(15)8-6-11(7-9-13)18-12(17)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyCYTPXFXHQKRYPB-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.81
Rot. Bonds2

About (4,4-difluorocyclohexyl) N-phenylcarbamate

(4,4-difluorocyclohexyl) N-phenylcarbamate (PubChem CID 90110321) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl) N-phenylcarbamate.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl) N-phenylcarbamate
PubChem CID90110321
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(4,4-difluorocyclohexyl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC1CCC(F)(F)CC1
InChIInChI=1S/C13H15F2NO2/c14-13(15)8-6-11(7-9-13)18-12(17)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17)
InChIKeyCYTPXFXHQKRYPB-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl) N-phenylcarbamate?
The IUPAC name of (4,4-difluorocyclohexyl) N-phenylcarbamate (CID 90110321) is (4,4-difluorocyclohexyl) N-phenylcarbamate.
What is the SMILES notation for (4,4-difluorocyclohexyl) N-phenylcarbamate?
The canonical SMILES for (4,4-difluorocyclohexyl) N-phenylcarbamate is O=C(Nc1ccccc1)OC1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluorocyclohexyl) N-phenylcarbamate?
The InChIKey is CYTPXFXHQKRYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c14-13(15)8-6-11(7-9-13)18-12(17)16-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,16,17).
What are the key properties of (4,4-difluorocyclohexyl) N-phenylcarbamate?
(4,4-difluorocyclohexyl) N-phenylcarbamate has a molecular weight of 255.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl) N-phenylcarbamate is sourced from PubChem (CID 90110321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).