4,5-diethyl-1-fluoroheptane

C11H23F — CID 123254760

IUPAC4,5-diethyl-1-fluoroheptane
SMILESCCC(CC)C(CC)CCCF
InChIInChI=1S/C11H23F/c1-4-10(5-2)11(6-3)8-7-9-12/h10-11H,4-9H2,1-3H3
InChIKeyDJGPAQUSKOYIQJ-UHFFFAOYSA-N
MW174.30 g/mol
LogP4.20
Rot. Bonds7

About 4,5-diethyl-1-fluoroheptane

4,5-diethyl-1-fluoroheptane (PubChem CID 123254760) has the molecular formula C11H23F and a molecular weight of 174.30 g/mol. Its IUPAC name is 4,5-diethyl-1-fluoroheptane.

Molecular Properties

Compound Name4,5-diethyl-1-fluoroheptane
PubChem CID123254760
Molecular FormulaC11H23F
Molecular Weight174.30 g/mol
Exact Mass174.18
IUPAC Name4,5-diethyl-1-fluoroheptane
SMILESCCC(CC)C(CC)CCCF
InChIInChI=1S/C11H23F/c1-4-10(5-2)11(6-3)8-7-9-12/h10-11H,4-9H2,1-3H3
InChIKeyDJGPAQUSKOYIQJ-UHFFFAOYSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-ethyl-1-fluoroheptane
CID 174734694
9,10-diethyloctadecane
CID 530164
4,5-diethylnonane
CID 21188862
5-ethyl-4,9,10-tripropyltridecane
CID 21351361
tris(3,4-diethylheptane);methane
CID 160558798
3,4-diethylheptane;ethane
CID 144734225
19-heptadecan-3-ylnonatriacontane
CID 57212477
5,6-diethyldodecane
CID 90761715
6-ethyl-7-pentyltetradecane
CID 123140274
3,4-diethylhexane;ethane
CID 178112158
4,5-diethyloctane
CID 519254
5-butyl-6-ethyldodecane
CID 529932

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-1-fluoroheptane?
The IUPAC name of 4,5-diethyl-1-fluoroheptane (CID 123254760) is 4,5-diethyl-1-fluoroheptane.
What is the SMILES notation for 4,5-diethyl-1-fluoroheptane?
The canonical SMILES for 4,5-diethyl-1-fluoroheptane is CCC(CC)C(CC)CCCF.
What is the InChIKey of 4,5-diethyl-1-fluoroheptane?
The InChIKey is DJGPAQUSKOYIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F/c1-4-10(5-2)11(6-3)8-7-9-12/h10-11H,4-9H2,1-3H3.
What are the key properties of 4,5-diethyl-1-fluoroheptane?
4,5-diethyl-1-fluoroheptane has a molecular weight of 174.30 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-1-fluoroheptane is sourced from PubChem (CID 123254760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).