(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol

C17H12Cl2FNO — CID 129384462

IUPAC(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
SMILESO[C@H](c1ccc(F)cc1)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2FNO/c18-15-6-3-11(7-16(15)19)13-8-21-9-14(13)17(22)10-1-4-12(20)5-2-10/h1-9,17,21-22H/t17-/m1/s1
InChIKeyFTSFTMJPCXYKFS-QGZVFWFLSA-N
MW336.19 g/mol
LogP5.21
Rot. Bonds3

About (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol

(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol (PubChem CID 129384462) has the molecular formula C17H12Cl2FNO and a molecular weight of 336.19 g/mol. Its IUPAC name is (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
PubChem CID129384462
Molecular FormulaC17H12Cl2FNO
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol
SMILESO[C@H](c1ccc(F)cc1)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H12Cl2FNO/c18-15-6-3-11(7-16(15)19)13-8-21-9-14(13)17(22)10-1-4-12(20)5-2-10/h1-9,17,21-22H/t17-/m1/s1
InChIKeyFTSFTMJPCXYKFS-QGZVFWFLSA-N
XLogP5.21
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.19
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
The IUPAC name of (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol (CID 129384462) is (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol is O[C@H](c1ccc(F)cc1)c1c[nH]cc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
The InChIKey is FTSFTMJPCXYKFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H12Cl2FNO/c18-15-6-3-11(7-16(15)19)13-8-21-9-14(13)17(22)10-1-4-12(20)5-2-10/h1-9,17,21-22H/t17-/m1/s1.
What are the key properties of (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol?
(R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol has a molecular weight of 336.19 g/mol, XLogP of 5.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[4-(3,4-dichlorophenyl)-1H-pyrrol-3-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 129384462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).