1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane

C6H2ClF9O — CID 154377976

IUPAC1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(OCCl)C1(F)F
InChIInChI=1S/C6H2ClF9O/c7-1-17-6(16)4(12,13)2(8,9)3(10,11)5(6,14)15/h1H2
InChIKeyPRFADJFAZYJRLR-UHFFFAOYSA-N
MW296.52 g/mol
LogP3.42
Rot. Bonds2

About 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane

1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane (PubChem CID 154377976) has the molecular formula C6H2ClF9O and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane.

Molecular Properties

Compound Name1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
PubChem CID154377976
Molecular FormulaC6H2ClF9O
Molecular Weight296.52 g/mol
Exact Mass295.97
IUPAC Name1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane
SMILESFC1(F)C(F)(F)C(F)(F)C(F)(OCCl)C1(F)F
InChIInChI=1S/C6H2ClF9O/c7-1-17-6(16)4(12,13)2(8,9)3(10,11)5(6,14)15/h1H2
InChIKeyPRFADJFAZYJRLR-UHFFFAOYSA-N
XLogP3.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 53.42
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'}

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Related Compounds

1-ethoxy-1,2,2,3,3,4,4-heptafluorocyclobutane
CID 57277549
1,1,2-trichloro-2-(chloromethoxy)-3,3,4,4,5,5-hexafluorocyclopentane
CID 154105678
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
1,1,2,2,3,3,4-heptafluoro-4-hexoxycyclobutane
CID 56997371
trimethoxy-[3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)oxypropyl]silane
CID 21080031
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
1,5-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
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2-dichloroethane;trihydrofluoride
CID 173434972
1,1-bis(chloromethoxy)cyclobutane
CID 23616276
1,1-dichloro-2,2,3,3,4-pentafluoro-4-methoxycyclobutane
CID 154145783
1-chloro-1,2,2,3,3,4,4,5,5,6,6,7,7-tridecafluorocycloheptane
CID 139815776
1-bromo-1-chloro-2,2,3,3,4-pentafluoro-4-heptoxycyclobutane
CID 154312425

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
The IUPAC name of 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane (CID 154377976) is 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane.
What is the SMILES notation for 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
The canonical SMILES for 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane is FC1(F)C(F)(F)C(F)(F)C(F)(OCCl)C1(F)F.
What is the InChIKey of 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
The InChIKey is PRFADJFAZYJRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF9O/c7-1-17-6(16)4(12,13)2(8,9)3(10,11)5(6,14)15/h1H2.
What are the key properties of 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane?
1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane has a molecular weight of 296.52 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethoxy)-1,2,2,3,3,4,4,5,5-nonafluorocyclopentane is sourced from PubChem (CID 154377976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).