3,5-diethyl-4,4-difluoroheptane

C11H22F2 — CID 137390783

IUPAC3,5-diethyl-4,4-difluoroheptane
SMILESCCC(CC)C(F)(F)C(CC)CC
InChIInChI=1S/C11H22F2/c1-5-9(6-2)11(12,13)10(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyCTQXNPKMNXOGOE-UHFFFAOYSA-N
MW192.29 g/mol
LogP4.49
Rot. Bonds6

About 3,5-diethyl-4,4-difluoroheptane

3,5-diethyl-4,4-difluoroheptane (PubChem CID 137390783) has the molecular formula C11H22F2 and a molecular weight of 192.29 g/mol. Its IUPAC name is 3,5-diethyl-4,4-difluoroheptane.

Molecular Properties

Compound Name3,5-diethyl-4,4-difluoroheptane
PubChem CID137390783
Molecular FormulaC11H22F2
Molecular Weight192.29 g/mol
Exact Mass192.17
IUPAC Name3,5-diethyl-4,4-difluoroheptane
SMILESCCC(CC)C(F)(F)C(CC)CC
InChIInChI=1S/C11H22F2/c1-5-9(6-2)11(12,13)10(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKeyCTQXNPKMNXOGOE-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.29
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4,4-difluoroheptane?
The IUPAC name of 3,5-diethyl-4,4-difluoroheptane (CID 137390783) is 3,5-diethyl-4,4-difluoroheptane.
What is the SMILES notation for 3,5-diethyl-4,4-difluoroheptane?
The canonical SMILES for 3,5-diethyl-4,4-difluoroheptane is CCC(CC)C(F)(F)C(CC)CC.
What is the InChIKey of 3,5-diethyl-4,4-difluoroheptane?
The InChIKey is CTQXNPKMNXOGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2/c1-5-9(6-2)11(12,13)10(7-3)8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 3,5-diethyl-4,4-difluoroheptane?
3,5-diethyl-4,4-difluoroheptane has a molecular weight of 192.29 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4,4-difluoroheptane is sourced from PubChem (CID 137390783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).