3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran

C21H22F2O — CID 146324836

IUPAC3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran
SMILESCCCc1ccc2c(oc3c(F)c(CC4CCCC4)ccc32)c1F
InChIInChI=1S/C21H22F2O/c1-2-5-14-8-10-16-17-11-9-15(12-13-6-3-4-7-13)19(23)21(17)24-20(16)18(14)22/h8-11,13H,2-7,12H2,1H3
InChIKeyLHONWNNEYWWCSH-UHFFFAOYSA-N
MW328.40 g/mol
LogP6.55
Rot. Bonds4

About 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran

3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran (PubChem CID 146324836) has the molecular formula C21H22F2O and a molecular weight of 328.40 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran
PubChem CID146324836
Molecular FormulaC21H22F2O
Molecular Weight328.40 g/mol
Exact Mass328.16
IUPAC Name3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran
SMILESCCCc1ccc2c(oc3c(F)c(CC4CCCC4)ccc32)c1F
InChIInChI=1S/C21H22F2O/c1-2-5-14-8-10-16-17-11-9-15(12-13-6-3-4-7-13)19(23)21(17)24-20(16)18(14)22/h8-11,13H,2-7,12H2,1H3
InChIKeyLHONWNNEYWWCSH-UHFFFAOYSA-N
XLogP6.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.40
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran?
The IUPAC name of 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran (CID 146324836) is 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran.
What is the SMILES notation for 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran?
The canonical SMILES for 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran is CCCc1ccc2c(oc3c(F)c(CC4CCCC4)ccc32)c1F.
What is the InChIKey of 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran?
The InChIKey is LHONWNNEYWWCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2O/c1-2-5-14-8-10-16-17-11-9-15(12-13-6-3-4-7-13)19(23)21(17)24-20(16)18(14)22/h8-11,13H,2-7,12H2,1H3.
What are the key properties of 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran?
3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran has a molecular weight of 328.40 g/mol, XLogP of 6.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-4,6-difluoro-7-propyldibenzofuran is sourced from PubChem (CID 146324836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).