[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine

C13H11F4NO — CID 107289329

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4NO/c1-7-9(4-5-19-7)12(18)8-2-3-11(14)10(6-8)13(15,16)17/h2-6,12H,18H2,1H3
InChIKeyXGCARTNUVOIGGU-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.79
Rot. Bonds2

About [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine

[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine (PubChem CID 107289329) has the molecular formula C13H11F4NO and a molecular weight of 273.23 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
PubChem CID107289329
Molecular FormulaC13H11F4NO
Molecular Weight273.23 g/mol
Exact Mass273.08
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine
SMILESCc1occc1C(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H11F4NO/c1-7-9(4-5-19-7)12(18)8-2-3-11(14)10(6-8)13(15,16)17/h2-6,12H,18H2,1H3
InChIKeyXGCARTNUVOIGGU-UHFFFAOYSA-N
XLogP3.79
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-methylfuran-3-yl)methanamine
CID 79747168
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
(2-methylfuran-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 104789761
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methylphenyl)methanamine
CID 115790064
(2-methylfuran-3-yl)-(4-methylphenyl)methanamine
CID 43463987
(3-chloro-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291796
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylfuran-3-yl)methanamine
CID 43384340
(4-bromo-2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107291877
(2-methylfuran-3-yl)-(4-phenylphenyl)methanamine
CID 43464106
(2-fluoro-4,6-dimethylphenyl)-(2-methylfuran-3-yl)methanamine
CID 106881970
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methoxy-3-pyridinyl)methanamine
CID 107291766
(3-bromo-5-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 65279601

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine (CID 107289329) is [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine is Cc1occc1C(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine?
The InChIKey is XGCARTNUVOIGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4NO/c1-7-9(4-5-19-7)12(18)8-2-3-11(14)10(6-8)13(15,16)17/h2-6,12H,18H2,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine?
[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine has a molecular weight of 273.23 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylfuran-3-yl)methanamine is sourced from PubChem (CID 107289329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).