4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol

C14H19F2NOS — CID 58118135

IUPAC4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol
SMILESCC(F)(F)Sc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H19F2NOS/c1-14(15,16)19-13-8-4-11(5-9-13)17-10-2-6-12(18)7-3-10/h4-5,8-10,12,17-18H,2-3,6-7H2,1H3
InChIKeyCZRLXIJEJZSOQU-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.11
Rot. Bonds4

About 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol

4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol (PubChem CID 58118135) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol
PubChem CID58118135
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol
SMILESCC(F)(F)Sc1ccc(NC2CCC(O)CC2)cc1
InChIInChI=1S/C14H19F2NOS/c1-14(15,16)19-13-8-4-11(5-9-13)17-10-2-6-12(18)7-3-10/h4-5,8-10,12,17-18H,2-3,6-7H2,1H3
InChIKeyCZRLXIJEJZSOQU-UHFFFAOYSA-N
XLogP4.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol?
The IUPAC name of 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol (CID 58118135) is 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol is CC(F)(F)Sc1ccc(NC2CCC(O)CC2)cc1.
What is the InChIKey of 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol?
The InChIKey is CZRLXIJEJZSOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-14(15,16)19-13-8-4-11(5-9-13)17-10-2-6-12(18)7-3-10/h4-5,8-10,12,17-18H,2-3,6-7H2,1H3.
What are the key properties of 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol?
4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol has a molecular weight of 287.38 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-difluoroethylsulfanyl)anilino]cyclohexan-1-ol is sourced from PubChem (CID 58118135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).