3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole

C11H10FNO — CID 174803802

IUPAC3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole
SMILESCOc1cc(F)cc(-c2cc[nH]c2)c1
InChIInChI=1S/C11H10FNO/c1-14-11-5-9(4-10(12)6-11)8-2-3-13-7-8/h2-7,13H,1H3
InChIKeyVMGSCWIEPZPENI-UHFFFAOYSA-N
MW191.20 g/mol
LogP2.83
Rot. Bonds2

About 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole

3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole (PubChem CID 174803802) has the molecular formula C11H10FNO and a molecular weight of 191.20 g/mol. Its IUPAC name is 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole.

Molecular Properties

Compound Name3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole
PubChem CID174803802
Molecular FormulaC11H10FNO
Molecular Weight191.20 g/mol
Exact Mass191.07
IUPAC Name3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole
SMILESCOc1cc(F)cc(-c2cc[nH]c2)c1
InChIInChI=1S/C11H10FNO/c1-14-11-5-9(4-10(12)6-11)8-2-3-13-7-8/h2-7,13H,1H3
InChIKeyVMGSCWIEPZPENI-UHFFFAOYSA-N
XLogP2.83
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
[4-(3-fluoro-5-methoxyphenyl)phenyl]methanol
CID 170385205
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
CID 165487058
CID 58361867
CID 58361867
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065
7-fluoro-3-(3-fluoro-5-methoxyphenyl)quinoline
CID 157018506
5-(3-fluoro-5-methoxyphenyl)pyridin-3-amine
CID 168655350
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
3-fluoro-4-(3-fluoro-5-methoxyphenyl)pyridine
CID 165479125

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole?
The IUPAC name of 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole (CID 174803802) is 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole.
What is the SMILES notation for 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole?
The canonical SMILES for 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole is COc1cc(F)cc(-c2cc[nH]c2)c1.
What is the InChIKey of 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole?
The InChIKey is VMGSCWIEPZPENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c1-14-11-5-9(4-10(12)6-11)8-2-3-13-7-8/h2-7,13H,1H3.
What are the key properties of 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole?
3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole has a molecular weight of 191.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole is sourced from PubChem (CID 174803802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).