1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane

C15H24F6O — CID 126548139

IUPAC1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane
SMILESCCC(CC(F)C(OC(F)(F)F)C(C)F)C1CCCCC1F
InChIInChI=1S/C15H24F6O/c1-3-10(11-6-4-5-7-12(11)17)8-13(18)14(9(2)16)22-15(19,20)21/h9-14H,3-8H2,1-2H3
InChIKeyVRSGAPICHDHNOA-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.53
Rot. Bonds7

About 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane

1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane (PubChem CID 126548139) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane.

Molecular Properties

Compound Name1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane
PubChem CID126548139
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane
SMILESCCC(CC(F)C(OC(F)(F)F)C(C)F)C1CCCCC1F
InChIInChI=1S/C15H24F6O/c1-3-10(11-6-4-5-7-12(11)17)8-13(18)14(9(2)16)22-15(19,20)21/h9-14H,3-8H2,1-2H3
InChIKeyVRSGAPICHDHNOA-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane?
The IUPAC name of 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane (CID 126548139) is 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane.
What is the SMILES notation for 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane?
The canonical SMILES for 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane is CCC(CC(F)C(OC(F)(F)F)C(C)F)C1CCCCC1F.
What is the InChIKey of 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane?
The InChIKey is VRSGAPICHDHNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F6O/c1-3-10(11-6-4-5-7-12(11)17)8-13(18)14(9(2)16)22-15(19,20)21/h9-14H,3-8H2,1-2H3.
What are the key properties of 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane?
1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane has a molecular weight of 334.34 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,7-difluoro-6-(trifluoromethoxy)octan-3-yl]-2-fluorocyclohexane is sourced from PubChem (CID 126548139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).