(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine

C12H10F3NO — CID 63185829

IUPAC(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C12H10F3NO/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5,12H,16H2,1H3
InChIKeyJERVCVWMGSNJPE-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.05
Rot. Bonds2

About (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine

(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine (PubChem CID 63185829) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
PubChem CID63185829
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine
SMILESCc1ccc(C(N)c2cc(F)c(F)c(F)c2)o1
InChIInChI=1S/C12H10F3NO/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5,12H,16H2,1H3
InChIKeyJERVCVWMGSNJPE-UHFFFAOYSA-N
XLogP3.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(5-methylfuran-2-yl)methanamine
CID 82815162
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
1-benzofuran-2-yl-(3,4,5-trifluorophenyl)methanamine
CID 114728145
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-2-yl)methanamine
CID 43464379
(2,3,5,6-tetramethylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 63184968
[(3-fluoro-4-methylphenyl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 107130968
(4-methyl-3-pyridinyl)-(3,4,5-trifluorophenyl)methanamine
CID 66272704
1-(3-fluoro-4-methoxyphenyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
CID 43487598
(2-bromo-4-chlorophenyl)-(5-methylfuran-2-yl)methanamine
CID 107987483
(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol
CID 97292995
(1S)-2-fluoro-1-(5-methylfuran-2-yl)ethanamine;hydrochloride
CID 171212357
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanamine
CID 106691928

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine?
The IUPAC name of (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine (CID 63185829) is (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine?
The canonical SMILES for (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine is Cc1ccc(C(N)c2cc(F)c(F)c(F)c2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine?
The InChIKey is JERVCVWMGSNJPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-6-2-3-10(17-6)12(16)7-4-8(13)11(15)9(14)5-7/h2-5,12H,16H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine?
(5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine has a molecular weight of 241.21 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(3,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 63185829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).