4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol

C18H13ClF3NO2 — CID 54094006

IUPAC4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol
SMILESCNc1oc(-c2ccccc2)c(O)c1-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13ClF3NO2/c1-23-17-14(11-7-12(18(20,21)22)9-13(19)8-11)15(24)16(25-17)10-5-3-2-4-6-10/h2-9,23-24H,1H3
InChIKeyMVUSODCMVNMATH-UHFFFAOYSA-N
MW367.75 g/mol
LogP6.03
Rot. Bonds3

About 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol

4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol (PubChem CID 54094006) has the molecular formula C18H13ClF3NO2 and a molecular weight of 367.75 g/mol. Its IUPAC name is 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol.

Molecular Properties

Compound Name4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol
PubChem CID54094006
Molecular FormulaC18H13ClF3NO2
Molecular Weight367.75 g/mol
Exact Mass367.06
IUPAC Name4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol
SMILESCNc1oc(-c2ccccc2)c(O)c1-c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C18H13ClF3NO2/c1-23-17-14(11-7-12(18(20,21)22)9-13(19)8-11)15(24)16(25-17)10-5-3-2-4-6-10/h2-9,23-24H,1H3
InChIKeyMVUSODCMVNMATH-UHFFFAOYSA-N
XLogP6.03
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.75
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol?
The IUPAC name of 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol (CID 54094006) is 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol.
What is the SMILES notation for 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol?
The canonical SMILES for 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol is CNc1oc(-c2ccccc2)c(O)c1-c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol?
The InChIKey is MVUSODCMVNMATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3NO2/c1-23-17-14(11-7-12(18(20,21)22)9-13(19)8-11)15(24)16(25-17)10-5-3-2-4-6-10/h2-9,23-24H,1H3.
What are the key properties of 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol?
4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol has a molecular weight of 367.75 g/mol, XLogP of 6.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(trifluoromethyl)phenyl]-5-(methylamino)-2-phenylfuran-3-ol is sourced from PubChem (CID 54094006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).