[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane

C16H29F3O2 — CID 170712694

IUPAC[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane
SMILESCOCC(CCC(C)C(F)(F)F)(COC)C1CCCCC1
InChIInChI=1S/C16H29F3O2/c1-13(16(17,18)19)9-10-15(11-20-2,12-21-3)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3
InChIKeyHNYWNMVVFKBREQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.82
Rot. Bonds8

About [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane

[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane (PubChem CID 170712694) has the molecular formula C16H29F3O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane.

Molecular Properties

Compound Name[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane
PubChem CID170712694
Molecular FormulaC16H29F3O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane
SMILESCOCC(CCC(C)C(F)(F)F)(COC)C1CCCCC1
InChIInChI=1S/C16H29F3O2/c1-13(16(17,18)19)9-10-15(11-20-2,12-21-3)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3
InChIKeyHNYWNMVVFKBREQ-UHFFFAOYSA-N
XLogP4.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane?
The IUPAC name of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane (CID 170712694) is [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane.
What is the SMILES notation for [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane?
The canonical SMILES for [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane is COCC(CCC(C)C(F)(F)F)(COC)C1CCCCC1.
What is the InChIKey of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane?
The InChIKey is HNYWNMVVFKBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3O2/c1-13(16(17,18)19)9-10-15(11-20-2,12-21-3)14-7-5-4-6-8-14/h13-14H,4-12H2,1-3H3.
What are the key properties of [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane?
[6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane has a molecular weight of 310.40 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6,6,6-trifluoro-1-methoxy-2-(methoxymethyl)-5-methylhexan-2-yl]cyclohexane is sourced from PubChem (CID 170712694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).