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

C17H19F3O — CID 142797199

IUPAC5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]
SMILESFC(F)(F)CCOc1ccc2c(c1)=CC1(C=2)CCCCC1
InChIInChI=1S/C17H19F3O/c18-17(19,20)8-9-21-15-5-4-13-11-16(12-14(13)10-15)6-2-1-3-7-16/h4-5,10-12H,1-3,6-9H2
InChIKeySPNFCYLUUKRCLD-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.54
Rot. Bonds3

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

5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene] (PubChem CID 142797199) has the molecular formula C17H19F3O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene].

Molecular Properties

Compound Name5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]
PubChem CID142797199
Molecular FormulaC17H19F3O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]
SMILESFC(F)(F)CCOc1ccc2c(c1)=CC1(C=2)CCCCC1
InChIInChI=1S/C17H19F3O/c18-17(19,20)8-9-21-15-5-4-13-11-16(12-14(13)10-15)6-2-1-3-7-16/h4-5,10-12H,1-3,6-9H2
InChIKeySPNFCYLUUKRCLD-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]?
The IUPAC name of 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene] (CID 142797199) is 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene].
What is the SMILES notation for 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]?
The canonical SMILES for 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene] is FC(F)(F)CCOc1ccc2c(c1)=CC1(C=2)CCCCC1.
What is the InChIKey of 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]?
The InChIKey is SPNFCYLUUKRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O/c18-17(19,20)8-9-21-15-5-4-13-11-16(12-14(13)10-15)6-2-1-3-7-16/h4-5,10-12H,1-3,6-9H2.
What are the key properties of 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene]?
5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene] has a molecular weight of 296.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(3,3,3-trifluoropropoxy)spiro[cyclohexane-1,2'-indene] is sourced from PubChem (CID 142797199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).