N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline

C12H8ClF4NO — CID 63036832

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C12H8ClF4NO/c13-11-4-2-8(19-11)6-18-10-5-7(12(15,16)17)1-3-9(10)14/h1-5,18H,6H2
InChIKeyBXVMZORYAZJMEP-UHFFFAOYSA-N
MW293.65 g/mol
LogP4.70
Rot. Bonds3

About N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline

N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline (PubChem CID 63036832) has the molecular formula C12H8ClF4NO and a molecular weight of 293.65 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
PubChem CID63036832
Molecular FormulaC12H8ClF4NO
Molecular Weight293.65 g/mol
Exact Mass293.02
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
SMILESFc1ccc(C(F)(F)F)cc1NCc1ccc(Cl)o1
InChIInChI=1S/C12H8ClF4NO/c13-11-4-2-8(19-11)6-18-10-5-7(12(15,16)17)1-3-9(10)14/h1-5,18H,6H2
InChIKeyBXVMZORYAZJMEP-UHFFFAOYSA-N
XLogP4.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.65
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline (CID 63036832) is N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline is Fc1ccc(C(F)(F)F)cc1NCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
The InChIKey is BXVMZORYAZJMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF4NO/c13-11-4-2-8(19-11)6-18-10-5-7(12(15,16)17)1-3-9(10)14/h1-5,18H,6H2.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline?
N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline has a molecular weight of 293.65 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 63036832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).