3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine

C10H17F4NO2S — CID 106291768

IUPAC3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H17F4NO2S/c1-18(16,17)8-4-2-3-7(5-8)15-6-10(13,14)9(11)12/h7-9,15H,2-6H2,1H3
InChIKeyLXEXPJFPVOZXTM-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.83
Rot. Bonds5

About 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine

3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine (PubChem CID 106291768) has the molecular formula C10H17F4NO2S and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine
PubChem CID106291768
Molecular FormulaC10H17F4NO2S
Molecular Weight291.31 g/mol
Exact Mass291.09
IUPAC Name3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCC(NCC(F)(F)C(F)F)C1
InChIInChI=1S/C10H17F4NO2S/c1-18(16,17)8-4-2-3-7(5-8)15-6-10(13,14)9(11)12/h7-9,15H,2-6H2,1H3
InChIKeyLXEXPJFPVOZXTM-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine?
The IUPAC name of 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine (CID 106291768) is 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine?
The canonical SMILES for 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine is CS(=O)(=O)C1CCCC(NCC(F)(F)C(F)F)C1.
What is the InChIKey of 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine?
The InChIKey is LXEXPJFPVOZXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2S/c1-18(16,17)8-4-2-3-7(5-8)15-6-10(13,14)9(11)12/h7-9,15H,2-6H2,1H3.
What are the key properties of 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine?
3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine has a molecular weight of 291.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfonyl-N-(2,2,3,3-tetrafluoropropyl)cyclohexan-1-amine is sourced from PubChem (CID 106291768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).