4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine

C8H15F2NS — CID 123463643

IUPAC4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine
SMILESCSN(C)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NS/c1-11(12-2)7-3-5-8(9,10)6-4-7/h7H,3-6H2,1-2H3
InChIKeyNUDQPQABVXUOBC-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.77
Rot. Bonds2

About 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine

4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine (PubChem CID 123463643) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine
PubChem CID123463643
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine
SMILESCSN(C)C1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NS/c1-11(12-2)7-3-5-8(9,10)6-4-7/h7H,3-6H2,1-2H3
InChIKeyNUDQPQABVXUOBC-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine?
The IUPAC name of 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine (CID 123463643) is 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine.
What is the SMILES notation for 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine?
The canonical SMILES for 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine is CSN(C)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine?
The InChIKey is NUDQPQABVXUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-11(12-2)7-3-5-8(9,10)6-4-7/h7H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine?
4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine has a molecular weight of 195.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methyl-N-methylsulfanylcyclohexan-1-amine is sourced from PubChem (CID 123463643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).