1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene

C14H16F2O2 — CID 153282322

IUPAC1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
SMILESFc1c(OCC2CCC2)ccc(OC2CC2)c1F
InChIInChI=1S/C14H16F2O2/c15-13-11(17-8-9-2-1-3-9)6-7-12(14(13)16)18-10-4-5-10/h6-7,9-10H,1-5,8H2
InChIKeyILOLQUSTGHHESA-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.68
Rot. Bonds5

About 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene

1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene (PubChem CID 153282322) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
PubChem CID153282322
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene
SMILESFc1c(OCC2CCC2)ccc(OC2CC2)c1F
InChIInChI=1S/C14H16F2O2/c15-13-11(17-8-9-2-1-3-9)6-7-12(14(13)16)18-10-4-5-10/h6-7,9-10H,1-5,8H2
InChIKeyILOLQUSTGHHESA-UHFFFAOYSA-N
XLogP3.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene?
The IUPAC name of 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene (CID 153282322) is 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene.
What is the SMILES notation for 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene?
The canonical SMILES for 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene is Fc1c(OCC2CCC2)ccc(OC2CC2)c1F.
What is the InChIKey of 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene?
The InChIKey is ILOLQUSTGHHESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-13-11(17-8-9-2-1-3-9)6-7-12(14(13)16)18-10-4-5-10/h6-7,9-10H,1-5,8H2.
What are the key properties of 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene?
1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene has a molecular weight of 254.28 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethoxy)-4-cyclopropyloxy-2,3-difluorobenzene is sourced from PubChem (CID 153282322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).