5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]

C17H21FO — CID 151178562

IUPAC5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]
SMILESFCCCOc1ccc2c(c1)=CC1(C=2)CCCCC1
InChIInChI=1S/C17H21FO/c18-9-4-10-19-16-6-5-14-12-17(13-15(14)11-16)7-2-1-3-8-17/h5-6,11-13H,1-4,7-10H2
InChIKeyNDUJHFHVXIZYRK-UHFFFAOYSA-N
MW260.35 g/mol
LogP2.95
Rot. Bonds4

About 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]

5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene] (PubChem CID 151178562) has the molecular formula C17H21FO and a molecular weight of 260.35 g/mol. Its IUPAC name is 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene].

Molecular Properties

Compound Name5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]
PubChem CID151178562
Molecular FormulaC17H21FO
Molecular Weight260.35 g/mol
Exact Mass260.16
IUPAC Name5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]
SMILESFCCCOc1ccc2c(c1)=CC1(C=2)CCCCC1
InChIInChI=1S/C17H21FO/c18-9-4-10-19-16-6-5-14-12-17(13-15(14)11-16)7-2-1-3-8-17/h5-6,11-13H,1-4,7-10H2
InChIKeyNDUJHFHVXIZYRK-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]?
The IUPAC name of 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene] (CID 151178562) is 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene].
What is the SMILES notation for 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]?
The canonical SMILES for 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene] is FCCCOc1ccc2c(c1)=CC1(C=2)CCCCC1.
What is the InChIKey of 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]?
The InChIKey is NDUJHFHVXIZYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO/c18-9-4-10-19-16-6-5-14-12-17(13-15(14)11-16)7-2-1-3-8-17/h5-6,11-13H,1-4,7-10H2.
What are the key properties of 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene]?
5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene] has a molecular weight of 260.35 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3-fluoropropoxy)spiro[cyclohexane-1,2'-indene] is sourced from PubChem (CID 151178562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).