1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane

C5H3Cl2F5O — CID 154145783

IUPAC1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane
SMILESCOC1(F)C(F)(F)C(F)(F)C1(Cl)Cl
InChIInChI=1S/C5H3Cl2F5O/c1-13-5(12)2(6,7)3(8,9)4(5,10)11/h1H3
InChIKeySFVDKCOBEFNOSD-UHFFFAOYSA-N
MW244.97 g/mol
LogP2.76
Rot. Bonds1

About 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane

1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane (PubChem CID 154145783) has the molecular formula C5H3Cl2F5O and a molecular weight of 244.97 g/mol. Its IUPAC name is 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane.

Molecular Properties

Compound Name1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane
PubChem CID154145783
Molecular FormulaC5H3Cl2F5O
Molecular Weight244.97 g/mol
Exact Mass243.95
IUPAC Name1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane
SMILESCOC1(F)C(F)(F)C(F)(F)C1(Cl)Cl
InChIInChI=1S/C5H3Cl2F5O/c1-13-5(12)2(6,7)3(8,9)4(5,10)11/h1H3
InChIKeySFVDKCOBEFNOSD-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.97
LogP ≤ 52.76
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-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane 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

1,1,2,2,3,4-hexafluoro-3-methoxy-4-methylcyclobutane
CID 59710679
1,1-dichloro-2,2,3-trifluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)cyclopropane
CID 59509990
1-chloro-1,2,2,3,3-pentafluorocyclopropane
CID 23233207
1,1,2,2,3,3,4,4,5,5,6,6,7-tridecafluoro-7-(1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptyl)oxycycloheptane
CID 141298295
methyl (1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl) sulfate
CID 87154403
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
1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane
CID 154105678
1,2,4,4-tetrachloro-3,3,5,5-tetramethoxycyclopentene
CID 131859137
1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 57277549
1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
CID 154377976
(2-chloro-1,2,3,3,4,4,5,5-octafluorocyclopentyl) trifluoromethanesulfonate
CID 12599137
1,2-dichloro-1,2,3,4,4,5,5,6-octafluoro-3,6-dimethylcyclohexane
CID 141455516

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane?
The IUPAC name of 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane (CID 154145783) is 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane.
What is the SMILES notation for 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane?
The canonical SMILES for 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane is COC1(F)C(F)(F)C(F)(F)C1(Cl)Cl.
What is the InChIKey of 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane?
The InChIKey is SFVDKCOBEFNOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3Cl2F5O/c1-13-5(12)2(6,7)3(8,9)4(5,10)11/h1H3.
What are the key properties of 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane?
1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane has a molecular weight of 244.97 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane is sourced from PubChem (CID 154145783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).