[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol

C12H12FNO — CID 66398694

IUPAC[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H12FNO/c13-12-3-1-2-10(6-12)7-14-5-4-11(8-14)9-15/h1-6,8,15H,7,9H2
InChIKeyHFRVQMIVQKLXMA-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.17
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol

[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol (PubChem CID 66398694) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol
PubChem CID66398694
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol
SMILESOCc1ccn(Cc2cccc(F)c2)c1
InChIInChI=1S/C12H12FNO/c13-12-3-1-2-10(6-12)7-14-5-4-11(8-14)9-15/h1-6,8,15H,7,9H2
InChIKeyHFRVQMIVQKLXMA-UHFFFAOYSA-N
XLogP2.17
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol (CID 66398694) is [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol is OCc1ccn(Cc2cccc(F)c2)c1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol?
The InChIKey is HFRVQMIVQKLXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-12-3-1-2-10(6-12)7-14-5-4-11(8-14)9-15/h1-6,8,15H,7,9H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol?
[1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol has a molecular weight of 205.23 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 66398694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).