(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine

C6H5F4NO — CID 130612590

IUPAC(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine
SMILESN[C@H](c1cocc1F)C(F)(F)F
InChIInChI=1S/C6H5F4NO/c7-4-2-12-1-3(4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1
InChIKeyORSQKJWEZXGJQV-RXMQYKEDSA-N
MW183.10 g/mol
LogP1.98
Rot. Bonds1

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

(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine (PubChem CID 130612590) has the molecular formula C6H5F4NO and a molecular weight of 183.10 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine
PubChem CID130612590
Molecular FormulaC6H5F4NO
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine
SMILESN[C@H](c1cocc1F)C(F)(F)F
InChIInChI=1S/C6H5F4NO/c7-4-2-12-1-3(4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1
InChIKeyORSQKJWEZXGJQV-RXMQYKEDSA-N
XLogP1.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-bromofuran-3-yl)-2,2,2-trifluoroethanamine
CID 130655112
2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
CID 126971495
(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
CID 66511402
(1S)-1-(2-bromo-4,5-difluorophenyl)-2,2,2-trifluoroethanamine
CID 66511938
1-(2,3-difluorophenyl)-2,2,2-trifluoroethanamine;hydrochloride
CID 75480584
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4,6-difluoroaniline
CID 66511440
(1R)-2,2,2-trifluoro-1-(2-fluoro-4-iodophenyl)ethanamine
CID 66512608
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
2,2,2-trifluoro-1-(3-fluoro-2-methylphenyl)ethanamine;hydrochloride
CID 166403152
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-6-fluorophenol;hydrochloride
CID 171245844
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062
(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 56971920

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine (CID 130612590) is (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine is N[C@H](c1cocc1F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine?
The InChIKey is ORSQKJWEZXGJQV-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H5F4NO/c7-4-2-12-1-3(4)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m1/s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine?
(1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine has a molecular weight of 183.10 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-fluorofuran-3-yl)ethanamine is sourced from PubChem (CID 130612590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).