3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine

C9H16F3NOS — CID 81333406

IUPAC3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(S(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)8(5-6-13)15(14)7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyDUSFUYGWLOADHO-UHFFFAOYSA-N
MW243.29 g/mol
LogP1.96
Rot. Bonds4

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

3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine (PubChem CID 81333406) has the molecular formula C9H16F3NOS and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine
PubChem CID81333406
Molecular FormulaC9H16F3NOS
Molecular Weight243.29 g/mol
Exact Mass243.09
IUPAC Name3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine
SMILESNCCC(S(=O)C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NOS/c10-9(11,12)8(5-6-13)15(14)7-3-1-2-4-7/h7-8H,1-6,13H2
InChIKeyDUSFUYGWLOADHO-UHFFFAOYSA-N
XLogP1.96
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
3-(4,4,4-Trifluorobutylsulfinyl)propan-1-amine
CID 58684519
2-(4,4,4-Trifluorobutylsulfinyl)ethanamine
CID 58684777
3-(2,2-Difluoroethylsulfinyl)propan-1-amine
CID 58684917
2-(3,3,3-Trifluoropropylsulfinyl)ethanamine
CID 81176381
3-(5,5,5-Trifluoropentylsulfonyl)propan-1-amine
CID 86696841
4-(4,4,4-Trifluorobutylsulfonyl)butan-1-amine
CID 86696846
3-[(RS)-(4,4,5,5,5-Pentafluoropentyl)sulphinyl]propane-1-amine
CID 88121082
5-(4,4,5,5,5-Pentafluoropentylsulfinyl)pentan-2-amine
CID 89615306
2-Cyclopentylsulfanyl-3,3,3-trifluoropropan-1-amine
CID 63115058
3-Cyclopentylsulfanyl-4,4,4-trifluorobutan-1-amine
CID 63115522

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine (CID 81333406) is 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine is NCCC(S(=O)C1CCCC1)C(F)(F)F.
What is the InChIKey of 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine?
The InChIKey is DUSFUYGWLOADHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NOS/c10-9(11,12)8(5-6-13)15(14)7-3-1-2-4-7/h7-8H,1-6,13H2.
What are the key properties of 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine?
3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine has a molecular weight of 243.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfinyl-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 81333406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).