[5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane

C14H25Cl2FO2 — CID 174162330

IUPAC[5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
SMILESCOCC(CCC(F)(Cl)Cl)(COC)C1CCCCC1
InChIInChI=1S/C14H25Cl2FO2/c1-18-10-13(11-19-2,8-9-14(15,16)17)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3
InChIKeySPHNYNPOXZCPBS-UHFFFAOYSA-N
MW315.26 g/mol
LogP4.73
Rot. Bonds8

About [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane

[5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane (PubChem CID 174162330) has the molecular formula C14H25Cl2FO2 and a molecular weight of 315.26 g/mol. Its IUPAC name is [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane.

Molecular Properties

Compound Name[5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
PubChem CID174162330
Molecular FormulaC14H25Cl2FO2
Molecular Weight315.26 g/mol
Exact Mass314.12
IUPAC Name[5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
SMILESCOCC(CCC(F)(Cl)Cl)(COC)C1CCCCC1
InChIInChI=1S/C14H25Cl2FO2/c1-18-10-13(11-19-2,8-9-14(15,16)17)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3
InChIKeySPHNYNPOXZCPBS-UHFFFAOYSA-N
XLogP4.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[5,5-Dichloro-1-ethoxy-2-(ethoxymethyl)-5-fluoropentan-2-yl]-4-methyl-1-propan-2-ylcyclohexane
CID 174162290
[5-Chloro-5,5-difluoro-1-propoxy-2-(propoxymethyl)pentan-2-yl]cyclohexane
CID 176013600
[5-Chloro-5,5-difluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 176013661
1-[5,5-Dichloro-1-ethoxy-2-(ethoxymethyl)-5-fluoropentan-2-yl]-4-methylcyclohexane
CID 176205850
[5,5-Dichloro-1-ethoxy-2-(ethoxymethyl)-5-fluoropentan-2-yl]cyclohexane
CID 176205938
[5,5-Dichloro-5-fluoro-1-methoxy-2-(2-methylpropoxymethyl)pentan-2-yl]cyclohexane
CID 176205955
[5-Chloro-1-ethoxy-5,5-difluoro-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 176206020
1-Chloro-4-[1-methoxy-2-(methoxymethyl)-4-methylpentan-2-yl]cyclohexane
CID 19985380
(2-Chloro-1,3-dimethoxypropan-2-yl)cyclohexane
CID 19985384
[5-Chloro-1-methoxy-2-(methoxymethyl)-8-methyl-5-(3-methylbutyl)nonan-2-yl]cyclohexane
CID 170712683
1-Methyl-2-[5,5,5-trichloro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane
CID 174162064
[5,5-Dichloro-1-ethoxy-2-(methoxymethyl)hexan-2-yl]cyclohexane
CID 174162066

Frequently Asked Questions

What is the IUPAC name of [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The IUPAC name of [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane (CID 174162330) is [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane.
What is the SMILES notation for [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The canonical SMILES for [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane is COCC(CCC(F)(Cl)Cl)(COC)C1CCCCC1.
What is the InChIKey of [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
The InChIKey is SPHNYNPOXZCPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25Cl2FO2/c1-18-10-13(11-19-2,8-9-14(15,16)17)12-6-4-3-5-7-12/h12H,3-11H2,1-2H3.
What are the key properties of [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane?
[5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane has a molecular weight of 315.26 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,5-dichloro-5-fluoro-1-methoxy-2-(methoxymethyl)pentan-2-yl]cyclohexane is sourced from PubChem (CID 174162330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).