furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine

C12H10F3NO2 — CID 116628600

IUPACfuran-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)18-9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7,11H,16H2
InChIKeyTUYVNEQXHKHUII-UHFFFAOYSA-N
MW257.21 g/mol
LogP3.23
Rot. Bonds3

About furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine

furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 116628600) has the molecular formula C12H10F3NO2 and a molecular weight of 257.21 g/mol. Its IUPAC name is furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Namefuran-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID116628600
Molecular FormulaC12H10F3NO2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Namefuran-2-yl-[4-(trifluoromethoxy)phenyl]methanamine
SMILESNC(c1ccc(OC(F)(F)F)cc1)c1ccco1
InChIInChI=1S/C12H10F3NO2/c13-12(14,15)18-9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7,11H,16H2
InChIKeyTUYVNEQXHKHUII-UHFFFAOYSA-N
XLogP3.23
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-(4-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171245927
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(R)-pyridin-4-yl-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246372
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
(R)-(4-propan-2-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171239714
N-[1-(furan-2-yl)ethyl]-4-(trifluoromethoxy)aniline
CID 43193128
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
(R)-(4-ethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239826
furan-2-yl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43464362
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
3-[(R)-amino-[4-(trifluoromethoxy)phenyl]methyl]phenol
CID 171245719
(1S)-1-[4-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 86346348

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine (CID 116628600) is furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine is NC(c1ccc(OC(F)(F)F)cc1)c1ccco1.
What is the InChIKey of furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is TUYVNEQXHKHUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2/c13-12(14,15)18-9-5-3-8(4-6-9)11(16)10-2-1-7-17-10/h1-7,11H,16H2.
What are the key properties of furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine?
furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 257.21 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 116628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).