2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

C10H14F3NOS — CID 107782583

IUPAC2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1occc1SC(C)CNCC(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-7(5-14-6-10(11,12)13)16-9-3-4-15-8(9)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJAPYVQZUIQBWQW-UHFFFAOYSA-N
MW253.29 g/mol
LogP3.22
Rot. Bonds5

About 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 107782583) has the molecular formula C10H14F3NOS and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID107782583
Molecular FormulaC10H14F3NOS
Molecular Weight253.29 g/mol
Exact Mass253.07
IUPAC Name2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCc1occc1SC(C)CNCC(F)(F)F
InChIInChI=1S/C10H14F3NOS/c1-7(5-14-6-10(11,12)13)16-9-3-4-15-8(9)2/h3-4,7,14H,5-6H2,1-2H3
InChIKeyJAPYVQZUIQBWQW-UHFFFAOYSA-N
XLogP3.22
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Furfurylthio)ethylamine
CID 118970
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-phenylsulfanylpropanamide
CID 2287878
2-(4-fluorophenyl)sulfanyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]acetamide
CID 2823417
2-(2-methylfuran-3-yl)sulfanyl-N-(oxan-4-yl)acetamide
CID 86799330
N-[3-(2-methylfuran-3-yl)sulfanylpropyl]acetamide
CID 86816617
2-(2-methylfuran-3-yl)sulfinyl-N-(2,2,2-trifluoroethyl)acetamide
CID 121520302
3-(4,4-Difluorobut-3-enylsulfinyl)-2-methylfuran
CID 21850523
3-[3-(Difluoromethyl)pentan-2-ylsulfanyl]-2-methylfuran
CID 21850610
3-(4,4-Difluorobut-3-enylsulfanyl)-2-methylfuran
CID 54333682
(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride
CID 155585044
(Z)-3,4,4-trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine
CID 155585045
3,4,4-Trifluoro-4-(2-methylfuran-3-yl)sulfonylbut-2-en-1-amine;hydrochloride
CID 175741646

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 107782583) is 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is Cc1occc1SC(C)CNCC(F)(F)F.
What is the InChIKey of 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JAPYVQZUIQBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NOS/c1-7(5-14-6-10(11,12)13)16-9-3-4-15-8(9)2/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 253.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylfuran-3-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 107782583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).