2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine

C14H19F2NOS — CID 64737324

IUPAC2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(S(=O)c2ccc(F)cc2F)C(N)C1
InChIInChI=1S/C14H19F2NOS/c1-8-5-9(2)14(12(17)6-8)19(18)13-4-3-10(15)7-11(13)16/h3-4,7-9,12,14H,5-6,17H2,1-2H3
InChIKeyZVULISTZRDPKCO-UHFFFAOYSA-N
MW287.38 g/mol
LogP2.83
Rot. Bonds2

About 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine

2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine (PubChem CID 64737324) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
PubChem CID64737324
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC Name2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine
SMILESCC1CC(C)C(S(=O)c2ccc(F)cc2F)C(N)C1
InChIInChI=1S/C14H19F2NOS/c1-8-5-9(2)14(12(17)6-8)19(18)13-4-3-10(15)7-11(13)16/h3-4,7-9,12,14H,5-6,17H2,1-2H3
InChIKeyZVULISTZRDPKCO-UHFFFAOYSA-N
XLogP2.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine (CID 64737324) is 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine is CC1CC(C)C(S(=O)c2ccc(F)cc2F)C(N)C1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is ZVULISTZRDPKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-8-5-9(2)14(12(17)6-8)19(18)13-4-3-10(15)7-11(13)16/h3-4,7-9,12,14H,5-6,17H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine?
2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 287.38 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfinyl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64737324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).