furan-2-yl-(2,4,5-trifluorophenyl)methanamine

C11H8F3NO — CID 103301909

IUPACfuran-2-yl-(2,4,5-trifluorophenyl)methanamine
SMILESNC(c1ccco1)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H8F3NO/c12-7-5-9(14)8(13)4-6(7)11(15)10-2-1-3-16-10/h1-5,11H,15H2
InChIKeyUKGDYCLQQKVPSM-UHFFFAOYSA-N
MW227.19 g/mol
LogP2.74
Rot. Bonds2

About furan-2-yl-(2,4,5-trifluorophenyl)methanamine

furan-2-yl-(2,4,5-trifluorophenyl)methanamine (PubChem CID 103301909) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is furan-2-yl-(2,4,5-trifluorophenyl)methanamine.

Molecular Properties

Compound Namefuran-2-yl-(2,4,5-trifluorophenyl)methanamine
PubChem CID103301909
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Namefuran-2-yl-(2,4,5-trifluorophenyl)methanamine
SMILESNC(c1ccco1)c1cc(F)c(F)cc1F
InChIInChI=1S/C11H8F3NO/c12-7-5-9(14)8(13)4-6(7)11(15)10-2-1-3-16-10/h1-5,11H,15H2
InChIKeyUKGDYCLQQKVPSM-UHFFFAOYSA-N
XLogP2.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(furan-2-yl)methanamine
CID 43415092
2-[bromo-(2,4,5-trifluorophenyl)methyl]furan
CID 103304265
1-(furan-2-yl)-N-methyl-1-(2,4,5-trifluorophenyl)methanamine
CID 103302337
(2,3-difluoro-4-methylphenyl)-(furan-2-yl)methanamine
CID 107513300
(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
CID 107993178
(S)-(2,4-dimethylphenyl)-(furan-2-yl)methanamine
CID 51690800
furan-2-yl-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102753944
1-[(S)-furan-2-yl-(2,4,5-trifluorophenyl)methyl]piperazine;hydrochloride
CID 171177233
(2-bromo-5-methylphenyl)-(furan-2-yl)methanamine
CID 81109749
(4,5-dimethylfuran-2-yl)-(furan-2-yl)methanamine
CID 130495135
(5-chloro-1-benzofuran-2-yl)-(furan-2-yl)methanamine
CID 114728388
(1R,2R)-1,2-bis(furan-2-yl)ethane-1,2-diamine;hydrochloride
CID 156789139

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(2,4,5-trifluorophenyl)methanamine?
The IUPAC name of furan-2-yl-(2,4,5-trifluorophenyl)methanamine (CID 103301909) is furan-2-yl-(2,4,5-trifluorophenyl)methanamine.
What is the SMILES notation for furan-2-yl-(2,4,5-trifluorophenyl)methanamine?
The canonical SMILES for furan-2-yl-(2,4,5-trifluorophenyl)methanamine is NC(c1ccco1)c1cc(F)c(F)cc1F.
What is the InChIKey of furan-2-yl-(2,4,5-trifluorophenyl)methanamine?
The InChIKey is UKGDYCLQQKVPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-7-5-9(14)8(13)4-6(7)11(15)10-2-1-3-16-10/h1-5,11H,15H2.
What are the key properties of furan-2-yl-(2,4,5-trifluorophenyl)methanamine?
furan-2-yl-(2,4,5-trifluorophenyl)methanamine has a molecular weight of 227.19 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(2,4,5-trifluorophenyl)methanamine is sourced from PubChem (CID 103301909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).