1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane

C6H2Cl4F6O — CID 154105678

IUPAC1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane
SMILESFC1(F)C(F)(F)C(Cl)(Cl)C(Cl)(OCCl)C1(F)F
InChIInChI=1S/C6H2Cl4F6O/c7-1-17-3(10)2(8,9)4(11,12)6(15,16)5(3,13)14/h1H2
InChIKeyIJFSWGBLEZLKBA-UHFFFAOYSA-N
MW345.88 g/mol
LogP4.23
Rot. Bonds2

About 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane

1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane (PubChem CID 154105678) has the molecular formula C6H2Cl4F6O and a molecular weight of 345.88 g/mol. Its IUPAC name is 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane.

Molecular Properties

Compound Name1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane
PubChem CID154105678
Molecular FormulaC6H2Cl4F6O
Molecular Weight345.88 g/mol
Exact Mass343.88
IUPAC Name1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane
SMILESFC1(F)C(F)(F)C(Cl)(Cl)C(Cl)(OCCl)C1(F)F
InChIInChI=1S/C6H2Cl4F6O/c7-1-17-3(10)2(8,9)4(11,12)6(15,16)5(3,13)14/h1H2
InChIKeyIJFSWGBLEZLKBA-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
CID 154377976
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane
CID 154145783
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2-dichloroethane;trihydrofluoride
CID 173434972
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,1-bis(chloromethoxy)cyclobutane
CID 23616276
1-bromo-1-chloro-2,2,3,3,4,4,5,5-octafluorocyclopentane
CID 70673702
1,5-dichloro-2-[(2,4-dichloro-1,2,3,3,4,5,5,6,6-nonafluorocyclohexyl)oxymethoxy]-1,2,3,3,4,4,5,6,6-nonafluorocyclohexane
CID 54351320
1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 57277549
2,3-bis(chloromethyl)-1,4,5,6,7,7,8,8-octafluorobicyclo[2.2.2]octa-2,5-diene
CID 23234781
4-[2,2-dichloro-3,3,4,4,5,5-hexafluoro-1-(4-hydroxyphenyl)cyclopentyl]phenol
CID 15702464

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane?
The IUPAC name of 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane (CID 154105678) is 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane.
What is the SMILES notation for 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane?
The canonical SMILES for 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane is FC1(F)C(F)(F)C(Cl)(Cl)C(Cl)(OCCl)C1(F)F.
What is the InChIKey of 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane?
The InChIKey is IJFSWGBLEZLKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl4F6O/c7-1-17-3(10)2(8,9)4(11,12)6(15,16)5(3,13)14/h1H2.
What are the key properties of 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane?
1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane has a molecular weight of 345.88 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane is sourced from PubChem (CID 154105678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).