3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine

C10H18F3NS — CID 60885582

IUPAC3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(SC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)9(6-7-14)15-8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyVLROHOWWCJXURF-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.33
Rot. Bonds4

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

3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine (PubChem CID 60885582) has the molecular formula C10H18F3NS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine
PubChem CID60885582
Molecular FormulaC10H18F3NS
Molecular Weight241.32 g/mol
Exact Mass241.11
IUPAC Name3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(SC1CCCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NS/c11-10(12,13)9(6-7-14)15-8-4-2-1-3-5-8/h8-9H,1-7,14H2
InChIKeyVLROHOWWCJXURF-UHFFFAOYSA-N
XLogP3.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine (CID 60885582) is 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine is NCCC(SC1CCCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is VLROHOWWCJXURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NS/c11-10(12,13)9(6-7-14)15-8-4-2-1-3-5-8/h8-9H,1-7,14H2.
What are the key properties of 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine?
3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 241.32 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 60885582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).