6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

C13H14FNO — CID 69159711

IUPAC6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(F)ccc2C12CCCCC2
InChIInChI=1S/C13H14FNO/c14-9-4-5-10-11(8-9)15-12(16)13(10)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyBGIWJLNOVKNXRB-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.98
Rot. Bonds

About 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one

6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (PubChem CID 69159711) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
PubChem CID69159711
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(F)ccc2C12CCCCC2
InChIInChI=1S/C13H14FNO/c14-9-4-5-10-11(8-9)15-12(16)13(10)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16)
InChIKeyBGIWJLNOVKNXRB-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The IUPAC name of 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one (CID 69159711) is 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The canonical SMILES for 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is O=C1Nc2cc(F)ccc2C12CCCCC2.
What is the InChIKey of 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
The InChIKey is BGIWJLNOVKNXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c14-9-4-5-10-11(8-9)15-12(16)13(10)6-2-1-3-7-13/h4-5,8H,1-3,6-7H2,(H,15,16).
What are the key properties of 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one?
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one has a molecular weight of 219.26 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 69159711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).