5-fluoro-2-methylspiro[fluorene-9,4'-oxane]

C18H17FO — CID 23151773

IUPAC5-fluoro-2-methylspiro[fluorene-9,4'-oxane]
SMILESCc1ccc2c(c1)C1(CCOCC1)c1cccc(F)c1-2
InChIInChI=1S/C18H17FO/c1-12-5-6-13-15(11-12)18(7-9-20-10-8-18)14-3-2-4-16(19)17(13)14/h2-6,11H,7-10H2,1H3
InChIKeyJLGXBMGFHGCSDK-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.21
Rot. Bonds

About 5-fluoro-2-methylspiro[fluorene-9,4'-oxane]

5-fluoro-2-methylspiro[fluorene-9,4'-oxane] (PubChem CID 23151773) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is 5-fluoro-2-methylspiro[fluorene-9,4'-oxane].

Molecular Properties

Compound Name5-fluoro-2-methylspiro[fluorene-9,4'-oxane]
PubChem CID23151773
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name5-fluoro-2-methylspiro[fluorene-9,4'-oxane]
SMILESCc1ccc2c(c1)C1(CCOCC1)c1cccc(F)c1-2
InChIInChI=1S/C18H17FO/c1-12-5-6-13-15(11-12)18(7-9-20-10-8-18)14-3-2-4-16(19)17(13)14/h2-6,11H,7-10H2,1H3
InChIKeyJLGXBMGFHGCSDK-UHFFFAOYSA-N
XLogP4.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methylspiro[fluorene-9,4'-oxane]?
The IUPAC name of 5-fluoro-2-methylspiro[fluorene-9,4'-oxane] (CID 23151773) is 5-fluoro-2-methylspiro[fluorene-9,4'-oxane].
What is the SMILES notation for 5-fluoro-2-methylspiro[fluorene-9,4'-oxane]?
The canonical SMILES for 5-fluoro-2-methylspiro[fluorene-9,4'-oxane] is Cc1ccc2c(c1)C1(CCOCC1)c1cccc(F)c1-2.
What is the InChIKey of 5-fluoro-2-methylspiro[fluorene-9,4'-oxane]?
The InChIKey is JLGXBMGFHGCSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-12-5-6-13-15(11-12)18(7-9-20-10-8-18)14-3-2-4-16(19)17(13)14/h2-6,11H,7-10H2,1H3.
What are the key properties of 5-fluoro-2-methylspiro[fluorene-9,4'-oxane]?
5-fluoro-2-methylspiro[fluorene-9,4'-oxane] has a molecular weight of 268.33 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methylspiro[fluorene-9,4'-oxane] is sourced from PubChem (CID 23151773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).