4-[3-(trifluoromethyl)phenyl]furan-2-amine

C11H8F3NO — CID 90487673

IUPAC4-[3-(trifluoromethyl)phenyl]furan-2-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)co1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-6H,15H2
InChIKeyIHTUWCPMOGRHKC-UHFFFAOYSA-N
MW227.19 g/mol
LogP3.55
Rot. Bonds1

About 4-[3-(trifluoromethyl)phenyl]furan-2-amine

4-[3-(trifluoromethyl)phenyl]furan-2-amine (PubChem CID 90487673) has the molecular formula C11H8F3NO and a molecular weight of 227.19 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)phenyl]furan-2-amine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)phenyl]furan-2-amine
PubChem CID90487673
Molecular FormulaC11H8F3NO
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name4-[3-(trifluoromethyl)phenyl]furan-2-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)co1
InChIInChI=1S/C11H8F3NO/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-6H,15H2
InChIKeyIHTUWCPMOGRHKC-UHFFFAOYSA-N
XLogP3.55
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739
2-chloro-5-[3-(trifluoromethyl)phenyl]aniline
CID 62909928
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
4-(bromomethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 67407533
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
trihydroxy-[4-[3-(trifluoromethyl)phenyl]phenyl]silane
CID 90174149

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)phenyl]furan-2-amine?
The IUPAC name of 4-[3-(trifluoromethyl)phenyl]furan-2-amine (CID 90487673) is 4-[3-(trifluoromethyl)phenyl]furan-2-amine.
What is the SMILES notation for 4-[3-(trifluoromethyl)phenyl]furan-2-amine?
The canonical SMILES for 4-[3-(trifluoromethyl)phenyl]furan-2-amine is Nc1cc(-c2cccc(C(F)(F)F)c2)co1.
What is the InChIKey of 4-[3-(trifluoromethyl)phenyl]furan-2-amine?
The InChIKey is IHTUWCPMOGRHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(15)16-6-8/h1-6H,15H2.
What are the key properties of 4-[3-(trifluoromethyl)phenyl]furan-2-amine?
4-[3-(trifluoromethyl)phenyl]furan-2-amine has a molecular weight of 227.19 g/mol, XLogP of 3.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)phenyl]furan-2-amine is sourced from PubChem (CID 90487673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).