(2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate

C23H25FO2 — CID 70613479

IUPAC(2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCc2cc(C3CCCCC3)ccc21
InChIInChI=1S/C23H25FO2/c24-22-9-5-4-8-19(22)15-26-23(25)21-13-11-18-14-17(10-12-20(18)21)16-6-2-1-3-7-16/h4-5,8-10,12,14,16,21H,1-3,6-7,11,13,15H2
InChIKeyHGIQBKKUJDZERQ-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.65
Rot. Bonds4

About (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate

(2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate (PubChem CID 70613479) has the molecular formula C23H25FO2 and a molecular weight of 352.45 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
PubChem CID70613479
Molecular FormulaC23H25FO2
Molecular Weight352.45 g/mol
Exact Mass352.18
IUPAC Name(2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate
SMILESO=C(OCc1ccccc1F)C1CCc2cc(C3CCCCC3)ccc21
InChIInChI=1S/C23H25FO2/c24-22-9-5-4-8-19(22)15-26-23(25)21-13-11-18-14-17(10-12-20(18)21)16-6-2-1-3-7-16/h4-5,8-10,12,14,16,21H,1-3,6-7,11,13,15H2
InChIKeyHGIQBKKUJDZERQ-UHFFFAOYSA-N
XLogP5.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate?
The IUPAC name of (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate (CID 70613479) is (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate.
What is the SMILES notation for (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate?
The canonical SMILES for (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate is O=C(OCc1ccccc1F)C1CCc2cc(C3CCCCC3)ccc21.
What is the InChIKey of (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate?
The InChIKey is HGIQBKKUJDZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FO2/c24-22-9-5-4-8-19(22)15-26-23(25)21-13-11-18-14-17(10-12-20(18)21)16-6-2-1-3-7-16/h4-5,8-10,12,14,16,21H,1-3,6-7,11,13,15H2.
What are the key properties of (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate?
(2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate has a molecular weight of 352.45 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 5-cyclohexyl-2,3-dihydro-1H-indene-1-carboxylate is sourced from PubChem (CID 70613479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).