2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile

C14H16F2N2O — CID 62743756

IUPAC2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2O/c15-14(16)19-13-8-4-3-7-12(13)18-11-6-2-1-5-10(11)9-17/h3-4,7-8,10-11,14,18H,1-2,5-6H2
InChIKeyYXUQMPPPKRNEMK-UHFFFAOYSA-N
MW266.29 g/mol
LogP3.78
Rot. Bonds4

About 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile

2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile (PubChem CID 62743756) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile
PubChem CID62743756
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile
SMILESN#CC1CCCCC1Nc1ccccc1OC(F)F
InChIInChI=1S/C14H16F2N2O/c15-14(16)19-13-8-4-3-7-12(13)18-11-6-2-1-5-10(11)9-17/h3-4,7-8,10-11,14,18H,1-2,5-6H2
InChIKeyYXUQMPPPKRNEMK-UHFFFAOYSA-N
XLogP3.78
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile (CID 62743756) is 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile is N#CC1CCCCC1Nc1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile?
The InChIKey is YXUQMPPPKRNEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c15-14(16)19-13-8-4-3-7-12(13)18-11-6-2-1-5-10(11)9-17/h3-4,7-8,10-11,14,18H,1-2,5-6H2.
What are the key properties of 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile?
2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile has a molecular weight of 266.29 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)anilino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62743756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).