1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine

C10H14F3NOS — CID 107780013

IUPAC1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
SMILESCCC(N)C(Sc1ccoc1C)C(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-3-7(14)9(10(11,12)13)16-8-4-5-15-6(8)2/h4-5,7,9H,3,14H2,1-2H3
InChIKeyLOAKUCCXQPMLPI-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.35
Rot. Bonds4

About 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine

1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine (PubChem CID 107780013) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
PubChem CID107780013
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine
SMILESCCC(N)C(Sc1ccoc1C)C(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-3-7(14)9(10(11,12)13)16-8-4-5-15-6(8)2/h4-5,7,9H,3,14H2,1-2H3
InChIKeyLOAKUCCXQPMLPI-UHFFFAOYSA-N
XLogP3.35
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine (CID 107780013) is 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine is CCC(N)C(Sc1ccoc1C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
The InChIKey is LOAKUCCXQPMLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-3-7(14)9(10(11,12)13)16-8-4-5-15-6(8)2/h4-5,7,9H,3,14H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine?
1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine has a molecular weight of 253.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(2-methylfuran-3-yl)sulfanylpentan-3-amine is sourced from PubChem (CID 107780013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).