3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine

C10H18F3NO2S — CID 64698459

IUPAC3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)9(6-7-14)17(15,16)8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyCFYIZTKRCCCKLH-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.01
Rot. Bonds4

About 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine

3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine (PubChem CID 64698459) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine
PubChem CID64698459
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(C(F)(F)F)S(=O)(=O)C1CCCCC1
InChIInChI=1S/C10H18F3NO2S/c11-10(12,13)9(6-7-14)17(15,16)8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyCFYIZTKRCCCKLH-UHFFFAOYSA-N
XLogP2.01
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine (CID 64698459) is 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine is NCCC(C(F)(F)F)S(=O)(=O)C1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is CFYIZTKRCCCKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c11-10(12,13)9(6-7-14)17(15,16)8-4-2-1-3-5-8/h8-9H,1-7,14H2.
What are the key properties of 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine?
3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 273.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfonyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 64698459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).