2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine

C9H16F3NS — CID 103371682

IUPAC2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)7(5-13)6-14-8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyCQLRELAAYMNBIZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.80
Rot. Bonds4

About 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine

2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103371682) has the molecular formula C9H16F3NS and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103371682
Molecular FormulaC9H16F3NS
Molecular Weight227.29 g/mol
Exact Mass227.10
IUPAC Name2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine
SMILESNCC(CSC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NS/c10-9(11,12)7(5-13)6-14-8-3-1-2-4-8/h7-8H,1-6,13H2
InChIKeyCQLRELAAYMNBIZ-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine (CID 103371682) is 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine is NCC(CSC1CCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is CQLRELAAYMNBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NS/c10-9(11,12)7(5-13)6-14-8-3-1-2-4-8/h7-8H,1-6,13H2.
What are the key properties of 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine?
2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 227.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylsulfanylmethyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103371682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).