3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine

C9H16F3NS — CID 63115207

IUPAC3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c1-6(13)8(9(10,11)12)14-7-4-2-3-5-7/h6-8H,2-5,13H2,1H3
InChIKeyGTGNHHVUMDXWNT-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.94
Rot. Bonds3

About 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine

3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine (PubChem CID 63115207) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine
PubChem CID63115207
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine
SMILESCC(N)C(SC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c1-6(13)8(9(10,11)12)14-7-4-2-3-5-7/h6-8H,2-5,13H2,1H3
InChIKeyGTGNHHVUMDXWNT-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine?
The IUPAC name of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine (CID 63115207) is 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine.
What is the SMILES notation for 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine?
The canonical SMILES for 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine is CC(N)C(SC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine?
The InChIKey is GTGNHHVUMDXWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c1-6(13)8(9(10,11)12)14-7-4-2-3-5-7/h6-8H,2-5,13H2,1H3.
What are the key properties of 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine?
3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine has a molecular weight of 227.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-4,4,4-trifluorobutan-2-amine is sourced from PubChem (CID 63115207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).