6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole

C23H17ClF3NO2 — CID 118908987

IUPAC6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole
SMILESCOCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2ccco2)c2ccc(Cl)cc21
InChIInChI=1S/C23H17ClF3NO2/c1-29-14-28-19-12-16(24)9-10-17(19)21(22(28)15-6-3-2-4-7-15)18(13-23(25,26)27)20-8-5-11-30-20/h2-13H,14H2,1H3/b18-13-
InChIKeyNPNWNTNSHARTML-AQTBWJFISA-N
MW431.84 g/mol
LogP7.15
Rot. Bonds5

About 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole

6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole (PubChem CID 118908987) has the molecular formula C23H17ClF3NO2 and a molecular weight of 431.84 g/mol. Its IUPAC name is 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole.

Molecular Properties

Compound Name6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole
PubChem CID118908987
Molecular FormulaC23H17ClF3NO2
Molecular Weight431.84 g/mol
Exact Mass431.09
IUPAC Name6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole
SMILESCOCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2ccco2)c2ccc(Cl)cc21
InChIInChI=1S/C23H17ClF3NO2/c1-29-14-28-19-12-16(24)9-10-17(19)21(22(28)15-6-3-2-4-7-15)18(13-23(25,26)27)20-8-5-11-30-20/h2-13H,14H2,1H3/b18-13-
InChIKeyNPNWNTNSHARTML-AQTBWJFISA-N
XLogP7.15
TPSA27.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.84
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole?
The IUPAC name of 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole (CID 118908987) is 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole.
What is the SMILES notation for 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole?
The canonical SMILES for 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole is COCn1c(-c2ccccc2)c(/C(=C\C(F)(F)F)c2ccco2)c2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole?
The InChIKey is NPNWNTNSHARTML-AQTBWJFISA-N. The full InChI is InChI=1S/C23H17ClF3NO2/c1-29-14-28-19-12-16(24)9-10-17(19)21(22(28)15-6-3-2-4-7-15)18(13-23(25,26)27)20-8-5-11-30-20/h2-13H,14H2,1H3/b18-13-.
What are the key properties of 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole?
6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole has a molecular weight of 431.84 g/mol, XLogP of 7.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(methoxymethyl)-2-phenyl-3-[(E)-3,3,3-trifluoro-1-(furan-2-yl)prop-1-enyl]indole is sourced from PubChem (CID 118908987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).