3-(2-ethylpentyl)-1,1-difluorocyclobutane

C11H20F2 — CID 89380131

IUPAC3-(2-ethylpentyl)-1,1-difluorocyclobutane
SMILESCCCC(CC)CC1CC(F)(F)C1
InChIInChI=1S/C11H20F2/c1-3-5-9(4-2)6-10-7-11(12,13)8-10/h9-10H,3-8H2,1-2H3
InChIKeyDHAGMSJHGSCVCM-UHFFFAOYSA-N
MW190.28 g/mol
LogP4.25
Rot. Bonds5

About 3-(2-ethylpentyl)-1,1-difluorocyclobutane

3-(2-ethylpentyl)-1,1-difluorocyclobutane (PubChem CID 89380131) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 3-(2-ethylpentyl)-1,1-difluorocyclobutane.

Molecular Properties

Compound Name3-(2-ethylpentyl)-1,1-difluorocyclobutane
PubChem CID89380131
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name3-(2-ethylpentyl)-1,1-difluorocyclobutane
SMILESCCCC(CC)CC1CC(F)(F)C1
InChIInChI=1S/C11H20F2/c1-3-5-9(4-2)6-10-7-11(12,13)8-10/h9-10H,3-8H2,1-2H3
InChIKeyDHAGMSJHGSCVCM-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpentyl)-1,1-difluorocyclobutane?
The IUPAC name of 3-(2-ethylpentyl)-1,1-difluorocyclobutane (CID 89380131) is 3-(2-ethylpentyl)-1,1-difluorocyclobutane.
What is the SMILES notation for 3-(2-ethylpentyl)-1,1-difluorocyclobutane?
The canonical SMILES for 3-(2-ethylpentyl)-1,1-difluorocyclobutane is CCCC(CC)CC1CC(F)(F)C1.
What is the InChIKey of 3-(2-ethylpentyl)-1,1-difluorocyclobutane?
The InChIKey is DHAGMSJHGSCVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2/c1-3-5-9(4-2)6-10-7-11(12,13)8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 3-(2-ethylpentyl)-1,1-difluorocyclobutane?
3-(2-ethylpentyl)-1,1-difluorocyclobutane has a molecular weight of 190.28 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpentyl)-1,1-difluorocyclobutane is sourced from PubChem (CID 89380131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).