1,3-diethyl-2,4,5,6-tetrafluorocyclohexane

C10H16F4 — CID 88586121

IUPAC1,3-diethyl-2,4,5,6-tetrafluorocyclohexane
SMILESCCC1C(F)C(F)C(F)C(CC)C1F
InChIInChI=1S/C10H16F4/c1-3-5-7(11)6(4-2)9(13)10(14)8(5)12/h5-10H,3-4H2,1-2H3
InChIKeyPXEJMINOLYMATA-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.40
Rot. Bonds2

About 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane

1,3-diethyl-2,4,5,6-tetrafluorocyclohexane (PubChem CID 88586121) has the molecular formula C10H16F4 and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane.

Molecular Properties

Compound Name1,3-diethyl-2,4,5,6-tetrafluorocyclohexane
PubChem CID88586121
Molecular FormulaC10H16F4
Molecular Weight212.23 g/mol
Exact Mass212.12
IUPAC Name1,3-diethyl-2,4,5,6-tetrafluorocyclohexane
SMILESCCC1C(F)C(F)C(F)C(CC)C1F
InChIInChI=1S/C10H16F4/c1-3-5-7(11)6(4-2)9(13)10(14)8(5)12/h5-10H,3-4H2,1-2H3
InChIKeyPXEJMINOLYMATA-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane?
The IUPAC name of 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane (CID 88586121) is 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane.
What is the SMILES notation for 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane?
The canonical SMILES for 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane is CCC1C(F)C(F)C(F)C(CC)C1F.
What is the InChIKey of 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane?
The InChIKey is PXEJMINOLYMATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4/c1-3-5-7(11)6(4-2)9(13)10(14)8(5)12/h5-10H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane?
1,3-diethyl-2,4,5,6-tetrafluorocyclohexane has a molecular weight of 212.23 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2,4,5,6-tetrafluorocyclohexane is sourced from PubChem (CID 88586121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).