(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine

C12H9ClF3NO2 — CID 106691908

IUPAC(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1OC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C12H9ClF3NO2/c13-11-8(5-6-18-11)10(17)7-3-1-2-4-9(7)19-12(14,15)16/h1-6,10H,17H2
InChIKeyPUHSYVWWVZVEPV-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.88
Rot. Bonds3

About (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine

(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine (PubChem CID 106691908) has the molecular formula C12H9ClF3NO2 and a molecular weight of 291.66 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
PubChem CID106691908
Molecular FormulaC12H9ClF3NO2
Molecular Weight291.66 g/mol
Exact Mass291.03
IUPAC Name(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccccc1OC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C12H9ClF3NO2/c13-11-8(5-6-18-11)10(17)7-3-1-2-4-9(7)19-12(14,15)16/h1-6,10H,17H2
InChIKeyPUHSYVWWVZVEPV-UHFFFAOYSA-N
XLogP3.88
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorofuran-3-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 106692739
(4-chlorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 62790847
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850885
(2,5-difluorophenyl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 63672561
(2-methylpyrimidin-4-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115530155
2-(4-chlorophenyl)-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 62790502
(1R)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171243055
(1S)-2,2,2-trifluoro-1-[2-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171249788
(S)-chloro-[2-(trifluoromethoxy)phenyl]methanol
CID 130359004
(5-ethyl-1,2,4-oxadiazol-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 43559371
2-amino-2-[2-(trifluoromethoxy)phenyl]ethanol
CID 61054424
furan-2-yl-[2-(trifluoromethoxy)phenyl]methanol
CID 62791171

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine (CID 106691908) is (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine is NC(c1ccccc1OC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is PUHSYVWWVZVEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3NO2/c13-11-8(5-6-18-11)10(17)7-3-1-2-4-9(7)19-12(14,15)16/h1-6,10H,17H2.
What are the key properties of (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine?
(2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 291.66 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorofuran-3-yl)-[2-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 106691908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).