7-cyclohexyl-8-fluoro-2-iminochromen-5-ol

C15H16FNO2 — CID 137184160

IUPAC7-cyclohexyl-8-fluoro-2-iminochromen-5-ol
SMILES[H]/N=c1\ccc2c(O)cc(C3CCCCC3)c(F)c2o1
InChIInChI=1S/C15H16FNO2/c16-14-11(9-4-2-1-3-5-9)8-12(18)10-6-7-13(17)19-15(10)14/h6-9,17-18H,1-5H2/b17-13+
InChIKeyVQQMRYAJQKOUNY-GHRIWEEISA-N
MW261.30 g/mol
LogP3.80
Rot. Bonds1

About 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol

7-cyclohexyl-8-fluoro-2-iminochromen-5-ol (PubChem CID 137184160) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol.

Molecular Properties

Compound Name7-cyclohexyl-8-fluoro-2-iminochromen-5-ol
PubChem CID137184160
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name7-cyclohexyl-8-fluoro-2-iminochromen-5-ol
SMILES[H]/N=c1\ccc2c(O)cc(C3CCCCC3)c(F)c2o1
InChIInChI=1S/C15H16FNO2/c16-14-11(9-4-2-1-3-5-9)8-12(18)10-6-7-13(17)19-15(10)14/h6-9,17-18H,1-5H2/b17-13+
InChIKeyVQQMRYAJQKOUNY-GHRIWEEISA-N
XLogP3.80
TPSA57.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol?
The IUPAC name of 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol (CID 137184160) is 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol.
What is the SMILES notation for 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol?
The canonical SMILES for 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol is [H]/N=c1\ccc2c(O)cc(C3CCCCC3)c(F)c2o1.
What is the InChIKey of 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol?
The InChIKey is VQQMRYAJQKOUNY-GHRIWEEISA-N. The full InChI is InChI=1S/C15H16FNO2/c16-14-11(9-4-2-1-3-5-9)8-12(18)10-6-7-13(17)19-15(10)14/h6-9,17-18H,1-5H2/b17-13+.
What are the key properties of 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol?
7-cyclohexyl-8-fluoro-2-iminochromen-5-ol has a molecular weight of 261.30 g/mol, XLogP of 3.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-8-fluoro-2-iminochromen-5-ol is sourced from PubChem (CID 137184160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).