2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine

C7H8F3NO — CID 126971495

IUPAC2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
SMILESCc1cocc1C(N)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4-2-12-3-5(4)6(11)7(8,9)10/h2-3,6H,11H2,1H3
InChIKeyLGWXAVWQKQCGBQ-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.15
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine

2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine (PubChem CID 126971495) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
PubChem CID126971495
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
SMILESCc1cocc1C(N)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4-2-12-3-5(4)6(11)7(8,9)10/h2-3,6H,11H2,1H3
InChIKeyLGWXAVWQKQCGBQ-UHFFFAOYSA-N
XLogP2.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine
CID 130612590
(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine
CID 130655112
2,2,2-trifluoro-1-(2,4,5-trimethylphenyl)ethanamine
CID 77128155
[2,2-difluoro-1-(4-methylfuran-3-yl)propyl]hydrazine
CID 130847574
(1S)-2,2,2-trifluoro-1-(4-methyl-1H-pyrrol-3-yl)ethanamine
CID 131122522
2,2,2-trifluoro-1-(6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 116947211
(1R)-2,2,2-trifluoro-1-(4-fluoro-2-methylphenyl)ethanamine
CID 56971906
1-(2,5-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 175668922
(1S)-1-(2,3-dimethylphenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 159492909
(3,3-difluorocyclobutyl)-(4-methylfuran-3-yl)methanamine
CID 130847317
(1R)-2,2,2-trifluoro-1-(5-methylfuran-3-yl)ethanamine
CID 130611310
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-5-methylphenol
CID 66511370

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine (CID 126971495) is 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine is Cc1cocc1C(N)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
The InChIKey is LGWXAVWQKQCGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-2-12-3-5(4)6(11)7(8,9)10/h2-3,6H,11H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine has a molecular weight of 179.14 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 126971495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).