1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane

C18H33F — CID 174182336

IUPAC1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane
SMILESCCC(CC(C)F)CC(C)C1CC(C2CC(C)C2)C1
InChIInChI=1S/C18H33F/c1-5-15(9-14(4)19)8-13(3)16-10-18(11-16)17-6-12(2)7-17/h12-18H,5-11H2,1-4H3
InChIKeyBUAFQFNNYRCTHV-UHFFFAOYSA-N
MW268.46 g/mol
LogP5.86
Rot. Bonds7

About 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane

1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane (PubChem CID 174182336) has the molecular formula C18H33F and a molecular weight of 268.46 g/mol. Its IUPAC name is 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane.

Molecular Properties

Compound Name1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane
PubChem CID174182336
Molecular FormulaC18H33F
Molecular Weight268.46 g/mol
Exact Mass268.26
IUPAC Name1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane
SMILESCCC(CC(C)F)CC(C)C1CC(C2CC(C)C2)C1
InChIInChI=1S/C18H33F/c1-5-15(9-14(4)19)8-13(3)16-10-18(11-16)17-6-12(2)7-17/h12-18H,5-11H2,1-4H3
InChIKeyBUAFQFNNYRCTHV-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.46
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane?
The IUPAC name of 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane (CID 174182336) is 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane.
What is the SMILES notation for 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane?
The canonical SMILES for 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane is CCC(CC(C)F)CC(C)C1CC(C2CC(C)C2)C1.
What is the InChIKey of 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane?
The InChIKey is BUAFQFNNYRCTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33F/c1-5-15(9-14(4)19)8-13(3)16-10-18(11-16)17-6-12(2)7-17/h12-18H,5-11H2,1-4H3.
What are the key properties of 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane?
1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane has a molecular weight of 268.46 g/mol, XLogP of 5.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-6-fluoroheptan-2-yl)-3-(3-methylcyclobutyl)cyclobutane is sourced from PubChem (CID 174182336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).