[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine

C12H8Cl2F3NO — CID 142066600

IUPAC[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESNCc1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C12H8Cl2F3NO/c13-8-3-6(12(15,16)17)4-9(14)11(8)10-2-1-7(5-18)19-10/h1-4H,5,18H2
InChIKeyKROKWICZSCMYJR-UHFFFAOYSA-N
MW310.10 g/mol
LogP4.73
Rot. Bonds2

About [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine

[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine (PubChem CID 142066600) has the molecular formula C12H8Cl2F3NO and a molecular weight of 310.10 g/mol. Its IUPAC name is [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
PubChem CID142066600
Molecular FormulaC12H8Cl2F3NO
Molecular Weight310.10 g/mol
Exact Mass308.99
IUPAC Name[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
SMILESNCc1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C12H8Cl2F3NO/c13-8-3-6(12(15,16)17)4-9(14)11(8)10-2-1-7(5-18)19-10/h1-4H,5,18H2
InChIKeyKROKWICZSCMYJR-UHFFFAOYSA-N
XLogP4.73
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The IUPAC name of [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine (CID 142066600) is [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine is NCc1ccc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)o1.
What is the InChIKey of [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
The InChIKey is KROKWICZSCMYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3NO/c13-8-3-6(12(15,16)17)4-9(14)11(8)10-2-1-7(5-18)19-10/h1-4H,5,18H2.
What are the key properties of [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine?
[5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine has a molecular weight of 310.10 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2,6-dichloro-4-(trifluoromethyl)phenyl]furan-2-yl]methanamine is sourced from PubChem (CID 142066600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).