2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol

C16H15FN2O — CID 18397657

IUPAC2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2/C1=C1\N=CC=CN1
InChIInChI=1S/C16H15FN2O/c1-10-12(5-8-20)14-9-11(17)3-4-13(14)15(10)16-18-6-2-7-19-16/h2-4,6-7,9,18,20H,5,8H2,1H3/b16-15-
InChIKeyBXHCNUWBBAHEGI-NXVVXOECSA-N
MW270.31 g/mol
LogP2.85
Rot. Bonds2

About 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol

2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol (PubChem CID 18397657) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol
PubChem CID18397657
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol
SMILESCC1=C(CCO)c2cc(F)ccc2/C1=C1\N=CC=CN1
InChIInChI=1S/C16H15FN2O/c1-10-12(5-8-20)14-9-11(17)3-4-13(14)15(10)16-18-6-2-7-19-16/h2-4,6-7,9,18,20H,5,8H2,1H3/b16-15-
InChIKeyBXHCNUWBBAHEGI-NXVVXOECSA-N
XLogP2.85
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol?
The IUPAC name of 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol (CID 18397657) is 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol.
What is the SMILES notation for 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol?
The canonical SMILES for 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol is CC1=C(CCO)c2cc(F)ccc2/C1=C1\N=CC=CN1.
What is the InChIKey of 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol?
The InChIKey is BXHCNUWBBAHEGI-NXVVXOECSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-10-12(5-8-20)14-9-11(17)3-4-13(14)15(10)16-18-6-2-7-19-16/h2-4,6-7,9,18,20H,5,8H2,1H3/b16-15-.
What are the key properties of 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol?
2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol has a molecular weight of 270.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3Z)-6-fluoro-2-methyl-3-(1H-pyrimidin-2-ylidene)inden-1-yl]ethanol is sourced from PubChem (CID 18397657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).