2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

C16H15FN2O — CID 171371822

IUPAC2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCOc1cc(F)ccc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C16H15FN2O/c1-20-15-10-11(17)6-7-12(15)16(13-4-2-8-18-13)14-5-3-9-19-14/h2-10,16,18-19H,1H3
InChIKeyYOXRXKSKFWSNBK-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.67
Rot. Bonds4

About 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole

2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (PubChem CID 171371822) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
PubChem CID171371822
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
SMILESCOc1cc(F)ccc1C(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C16H15FN2O/c1-20-15-10-11(17)6-7-12(15)16(13-4-2-8-18-13)14-5-3-9-19-14/h2-10,16,18-19H,1H3
InChIKeyYOXRXKSKFWSNBK-UHFFFAOYSA-N
XLogP3.67
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-methoxy-4-(trifluoromethyl)phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371938
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
CID 156645255
2-(4-fluoro-2-methoxyphenyl)propan-1-ol
CID 105426240
(4-bromo-2-methoxyphenyl)-(1H-pyrrol-2-yl)methanol
CID 115369760
2-[[2-[7-[2-[bis(1H-pyrrol-2-yl)methyl]phenoxy]heptoxy]phenyl]-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 132500855
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
(S)-cyclopropyl-(4-fluoro-2-methoxyphenyl)methanamine;hydrochloride
CID 171224902
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine
CID 142381651
2-[(2-bromo-4-methylphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
CID 171371776

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The IUPAC name of 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole (CID 171371822) is 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The canonical SMILES for 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is COc1cc(F)ccc1C(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
The InChIKey is YOXRXKSKFWSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-20-15-10-11(17)6-7-12(15)16(13-4-2-8-18-13)14-5-3-9-19-14/h2-10,16,18-19H,1H3.
What are the key properties of 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole?
2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole has a molecular weight of 270.31 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methoxyphenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole is sourced from PubChem (CID 171371822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).