3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane

C15H23F7O2 — CID 58657618

IUPAC3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
SMILESCCC1CC(CC(OCOC)(C(F)(F)F)C(F)(F)F)CC(C)(F)C1
InChIInChI=1S/C15H23F7O2/c1-4-10-5-11(7-12(2,16)6-10)8-13(14(17,18)19,15(20,21)22)24-9-23-3/h10-11H,4-9H2,1-3H3
InChIKeyQIIRVWWTLGVJDM-UHFFFAOYSA-N
MW368.33 g/mol
LogP5.41
Rot. Bonds6

About 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane

3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane (PubChem CID 58657618) has the molecular formula C15H23F7O2 and a molecular weight of 368.33 g/mol. Its IUPAC name is 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane.

Molecular Properties

Compound Name3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
PubChem CID58657618
Molecular FormulaC15H23F7O2
Molecular Weight368.33 g/mol
Exact Mass368.16
IUPAC Name3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
SMILESCCC1CC(CC(OCOC)(C(F)(F)F)C(F)(F)F)CC(C)(F)C1
InChIInChI=1S/C15H23F7O2/c1-4-10-5-11(7-12(2,16)6-10)8-13(14(17,18)19,15(20,21)22)24-9-23-3/h10-11H,4-9H2,1-3H3
InChIKeyQIIRVWWTLGVJDM-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.33
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[3,3,3-Trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]bicyclo[2.2.1]heptane
CID 18439565
1-Butan-2-yl-4-[2-(cyclohexylmethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 20743893
[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxymethoxymethylcyclohexane
CID 20743930
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-1-(methoxymethoxy)-5-methyl-1-(trifluoromethyl)cyclohexane
CID 20770040
1,5,5,7,7-Pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
CID 20781750
4-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
Tert-butyl [2-(cyclohexylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl] carbonate
CID 20826480
2-[3-Butan-2-yl-5-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 21053286
1-Butan-2-yl-3,5-bis[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]cyclohexane
CID 21053305
1-(1,1-Difluoroethyl)-1,2,2-trifluoro-3-(methoxymethoxy)-5-methyl-3-(trifluoromethyl)cyclohexane
CID 23597948
3-Ethyl-1,2,2-trifluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723670
1-Ethyl-3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclopentane
CID 57723671

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane?
The IUPAC name of 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane (CID 58657618) is 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane.
What is the SMILES notation for 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane?
The canonical SMILES for 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane is CCC1CC(CC(OCOC)(C(F)(F)F)C(F)(F)F)CC(C)(F)C1.
What is the InChIKey of 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane?
The InChIKey is QIIRVWWTLGVJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F7O2/c1-4-10-5-11(7-12(2,16)6-10)8-13(14(17,18)19,15(20,21)22)24-9-23-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane?
3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane has a molecular weight of 368.33 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-fluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane is sourced from PubChem (CID 58657618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).