6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]

C14H19FO — CID 144633903

IUPAC6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]
SMILESCOC1=CC(F)=CC2CC3(CCCC3)CC12
InChIInChI=1S/C14H19FO/c1-16-13-7-11(15)6-10-8-14(9-12(10)13)4-2-3-5-14/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAKCZNVPBXKHEFG-UHFFFAOYSA-N
MW222.30 g/mol
LogP3.97
Rot. Bonds1

About 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]

6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane] (PubChem CID 144633903) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane].

Molecular Properties

Compound Name6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]
PubChem CID144633903
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]
SMILESCOC1=CC(F)=CC2CC3(CCCC3)CC12
InChIInChI=1S/C14H19FO/c1-16-13-7-11(15)6-10-8-14(9-12(10)13)4-2-3-5-14/h6-7,10,12H,2-5,8-9H2,1H3
InChIKeyAKCZNVPBXKHEFG-UHFFFAOYSA-N
XLogP3.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]?
The IUPAC name of 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane] (CID 144633903) is 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane].
What is the SMILES notation for 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]?
The canonical SMILES for 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane] is COC1=CC(F)=CC2CC3(CCCC3)CC12.
What is the InChIKey of 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]?
The InChIKey is AKCZNVPBXKHEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FO/c1-16-13-7-11(15)6-10-8-14(9-12(10)13)4-2-3-5-14/h6-7,10,12H,2-5,8-9H2,1H3.
What are the key properties of 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane]?
6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane] has a molecular weight of 222.30 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxyspiro[1,3,3a,7a-tetrahydroindene-2,1'-cyclopentane] is sourced from PubChem (CID 144633903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).