1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane

C19H36F2O2 — CID 174162255

IUPAC1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
SMILESCOCC(CCC(C)(F)F)(COC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H36F2O2/c1-17(2,3)15-7-9-16(10-8-15)19(13-22-5,14-23-6)12-11-18(4,20)21/h15-16H,7-14H2,1-6H3
InChIKeyANQADQIWGNYFFY-UHFFFAOYSA-N
MW334.49 g/mol
LogP5.55
Rot. Bonds8

About 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane

1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane (PubChem CID 174162255) has the molecular formula C19H36F2O2 and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
PubChem CID174162255
Molecular FormulaC19H36F2O2
Molecular Weight334.49 g/mol
Exact Mass334.27
IUPAC Name1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
SMILESCOCC(CCC(C)(F)F)(COC)C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C19H36F2O2/c1-17(2,3)15-7-9-16(10-8-15)19(13-22-5,14-23-6)12-11-18(4,20)21/h15-16H,7-14H2,1-6H3
InChIKeyANQADQIWGNYFFY-UHFFFAOYSA-N
XLogP5.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane with MolForge

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Related Compounds

tert-butylcyclopropane;1-methoxy-2,2-dimethylpropane
CID 161123369
[4-cyclohexyl-1-methoxy-2-(methoxymethyl)butan-2-yl]cyclohexane
CID 71344559
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
4-cyclopropyl-4-fluoro-5-methoxypentan-1-amine
CID 103392479
[5-bromo-1-methoxy-2-(methoxymethyl)-7-methyl-5-(2-methylpropyl)octan-2-yl]cyclohexane
CID 174162182
1-[5,5-dibromo-1-methoxy-2-(methoxymethyl)pentan-2-yl]-3,5-dimethylcyclohexane
CID 174162240
2,2,5-trifluoro-5-methylhexane
CID 134441894
3-amino-2-(4-tert-butylcyclohexyl)-1,1,1-trifluoropropan-2-ol
CID 165457814
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846
2-cyclohexyl-2-(methoxymethyl)pentan-1-amine
CID 139927573
2-cyclopentyl-2-(methoxymethyl)butan-1-amine
CID 139927552
tert-butylcyclopentane;tert-butylcyclopropane
CID 160905619

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The IUPAC name of 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane (CID 174162255) is 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane.
What is the SMILES notation for 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The canonical SMILES for 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane is COCC(CCC(C)(F)F)(COC)C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
The InChIKey is ANQADQIWGNYFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36F2O2/c1-17(2,3)15-7-9-16(10-8-15)19(13-22-5,14-23-6)12-11-18(4,20)21/h15-16H,7-14H2,1-6H3.
What are the key properties of 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane?
1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane has a molecular weight of 334.49 g/mol, XLogP of 5.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5,5-difluoro-1-methoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane is sourced from PubChem (CID 174162255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).