cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol

C15H15F2NO — CID 79097340

IUPACcyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2cc(F)ccc2F)c1)C1CC1
InChIInChI=1S/C15H15F2NO/c16-13-3-4-14(17)12(7-13)9-18-6-5-11(8-18)15(19)10-1-2-10/h3-8,10,15,19H,1-2,9H2
InChIKeyZQCZTSOWOHMXLR-UHFFFAOYSA-N
MW263.29 g/mol
LogP3.26
Rot. Bonds4

About cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol

cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol (PubChem CID 79097340) has the molecular formula C15H15F2NO and a molecular weight of 263.29 g/mol. Its IUPAC name is cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol.

Molecular Properties

Compound Namecyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol
PubChem CID79097340
Molecular FormulaC15H15F2NO
Molecular Weight263.29 g/mol
Exact Mass263.11
IUPAC Namecyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol
SMILESOC(c1ccn(Cc2cc(F)ccc2F)c1)C1CC1
InChIInChI=1S/C15H15F2NO/c16-13-3-4-14(17)12(7-13)9-18-6-5-11(8-18)15(19)10-1-2-10/h3-8,10,15,19H,1-2,9H2
InChIKeyZQCZTSOWOHMXLR-UHFFFAOYSA-N
XLogP3.26
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 107883249
[1-[(2-chlorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanol
CID 79103370
cyclopropyl-[1-[(2-fluoro-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
CID 107350375
cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
CID 79231730
cyclopropyl-(1-propylpyrrol-3-yl)methanol
CID 79097754
cyclopropyl-(1-prop-2-ynylpyrrol-3-yl)methanol
CID 79103372
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
cyclopropyl-[1-[(2-methyl-3-nitrophenyl)methyl]pyrrol-3-yl]methanol
CID 79098208
4-fluoro-2-[[3-(1-hydroxybutyl)pyrrol-1-yl]methyl]benzonitrile
CID 107906607
cyclopropyl-[1-[(1,3-diethylpyrazol-5-yl)methyl]pyrrol-3-yl]methanol
CID 79103901
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
CID 112591034

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol?
The IUPAC name of cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol (CID 79097340) is cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol.
What is the SMILES notation for cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol?
The canonical SMILES for cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol is OC(c1ccn(Cc2cc(F)ccc2F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol?
The InChIKey is ZQCZTSOWOHMXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO/c16-13-3-4-14(17)12(7-13)9-18-6-5-11(8-18)15(19)10-1-2-10/h3-8,10,15,19H,1-2,9H2.
What are the key properties of cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol?
cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol has a molecular weight of 263.29 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2,5-difluorophenyl)methyl]pyrrol-3-yl]methanol is sourced from PubChem (CID 79097340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).