5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane

C15H25F5O — CID 122676038

IUPAC5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane
SMILESCCCC(C)CCCC(F)(F)OC1CC(F)C(F)C(F)C1
InChIInChI=1S/C15H25F5O/c1-3-5-10(2)6-4-7-15(19,20)21-11-8-12(16)14(18)13(17)9-11/h10-14H,3-9H2,1-2H3
InChIKeyXVWCTHJBZZOHAT-UHFFFAOYSA-N
MW316.35 g/mol
LogP5.38
Rot. Bonds8

About 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane

5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane (PubChem CID 122676038) has the molecular formula C15H25F5O and a molecular weight of 316.35 g/mol. Its IUPAC name is 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane.

Molecular Properties

Compound Name5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane
PubChem CID122676038
Molecular FormulaC15H25F5O
Molecular Weight316.35 g/mol
Exact Mass316.18
IUPAC Name5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane
SMILESCCCC(C)CCCC(F)(F)OC1CC(F)C(F)C(F)C1
InChIInChI=1S/C15H25F5O/c1-3-5-10(2)6-4-7-15(19,20)21-11-8-12(16)14(18)13(17)9-11/h10-14H,3-9H2,1-2H3
InChIKeyXVWCTHJBZZOHAT-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.35
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10874009
1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
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CID 12038085
Cyclohexyl-ather
CID 59678177
1-(1,1,2,2,2-Pentafluoroethoxy)-4-(4-propylcyclohexyl)cyclohexane
CID 11198653
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-methylcyclohexane
CID 21638555
cis-(1R,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638556
trans-(1S,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638557
1-Methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 73818635
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
1-Propyl-4-[4-(1,2,2,2-tetrafluoroethoxy)cyclohexyl]cyclohexane
CID 15218814
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane?
The IUPAC name of 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane (CID 122676038) is 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane.
What is the SMILES notation for 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane?
The canonical SMILES for 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane is CCCC(C)CCCC(F)(F)OC1CC(F)C(F)C(F)C1.
What is the InChIKey of 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane?
The InChIKey is XVWCTHJBZZOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5O/c1-3-5-10(2)6-4-7-15(19,20)21-11-8-12(16)14(18)13(17)9-11/h10-14H,3-9H2,1-2H3.
What are the key properties of 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane?
5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane has a molecular weight of 316.35 g/mol, XLogP of 5.38, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoro-5-methyloctoxy)-1,2,3-trifluorocyclohexane is sourced from PubChem (CID 122676038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).