1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine

C14H19F2NO3S — CID 64572542

IUPAC1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine
SMILESNC1(COc2ccc(S(=O)(=O)C(F)F)cc2)CCCCC1
InChIInChI=1S/C14H19F2NO3S/c15-13(16)21(18,19)12-6-4-11(5-7-12)20-10-14(17)8-2-1-3-9-14/h4-7,13H,1-3,8-10,17H2
InChIKeyPYHCRJXGTZIZIF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.72
Rot. Bonds5

About 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine

1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine (PubChem CID 64572542) has the molecular formula C14H19F2NO3S and a molecular weight of 319.37 g/mol. Its IUPAC name is 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine
PubChem CID64572542
Molecular FormulaC14H19F2NO3S
Molecular Weight319.37 g/mol
Exact Mass319.11
IUPAC Name1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine
SMILESNC1(COc2ccc(S(=O)(=O)C(F)F)cc2)CCCCC1
InChIInChI=1S/C14H19F2NO3S/c15-13(16)21(18,19)12-6-4-11(5-7-12)20-10-14(17)8-2-1-3-9-14/h4-7,13H,1-3,8-10,17H2
InChIKeyPYHCRJXGTZIZIF-UHFFFAOYSA-N
XLogP2.72
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine?
The IUPAC name of 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine (CID 64572542) is 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine.
What is the SMILES notation for 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine?
The canonical SMILES for 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine is NC1(COc2ccc(S(=O)(=O)C(F)F)cc2)CCCCC1.
What is the InChIKey of 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine?
The InChIKey is PYHCRJXGTZIZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3S/c15-13(16)21(18,19)12-6-4-11(5-7-12)20-10-14(17)8-2-1-3-9-14/h4-7,13H,1-3,8-10,17H2.
What are the key properties of 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine?
1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine has a molecular weight of 319.37 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethylsulfonyl)phenoxy]methyl]cyclohexan-1-amine is sourced from PubChem (CID 64572542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).