2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol

C16H14FNO — CID 18397658

IUPAC2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2/C1=C1/C=CC=N1
InChIInChI=1S/C16H14FNO/c1-10-12(6-8-19)14-9-11(17)4-5-13(14)16(10)15-3-2-7-18-15/h2-5,7,9,19H,6,8H2,1H3/b16-15-
InChIKeyYIFHDMFTLLQESA-NXVVXOECSA-N
MW255.29 g/mol
LogP3.35
Rot. Bonds2

About 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol

2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol (PubChem CID 18397658) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol
PubChem CID18397658
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2/C1=C1/C=CC=N1
InChIInChI=1S/C16H14FNO/c1-10-12(6-8-19)14-9-11(17)4-5-13(14)16(10)15-3-2-7-18-15/h2-5,7,9,19H,6,8H2,1H3/b16-15-
InChIKeyYIFHDMFTLLQESA-NXVVXOECSA-N
XLogP3.35
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol?
The IUPAC name of 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol (CID 18397658) is 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol.
What is the SMILES notation for 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol?
The canonical SMILES for 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol is CC1=C(CCO)c2cc(F)ccc2/C1=C1/C=CC=N1.
What is the InChIKey of 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol?
The InChIKey is YIFHDMFTLLQESA-NXVVXOECSA-N. The full InChI is InChI=1S/C16H14FNO/c1-10-12(6-8-19)14-9-11(17)4-5-13(14)16(10)15-3-2-7-18-15/h2-5,7,9,19H,6,8H2,1H3/b16-15-.
What are the key properties of 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol?
2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol has a molecular weight of 255.29 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-6-fluoro-2-methyl-3-pyrrol-2-ylideneinden-1-yl]ethanol is sourced from PubChem (CID 18397658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).