1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane

C14H21F7O — CID 173379682

IUPAC1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane
SMILESCCCCC1CCC(CC)C1OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F7O/c1-3-5-6-10-8-7-9(4-2)11(10)22-14(20,21)12(15,16)13(17,18)19/h9-11H,3-8H2,1-2H3
InChIKeyOSYRLRJIJOLSLA-UHFFFAOYSA-N
MW338.31 g/mol
LogP5.79
Rot. Bonds7

About 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane

1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane (PubChem CID 173379682) has the molecular formula C14H21F7O and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane.

Molecular Properties

Compound Name1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane
PubChem CID173379682
Molecular FormulaC14H21F7O
Molecular Weight338.31 g/mol
Exact Mass338.15
IUPAC Name1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane
SMILESCCCCC1CCC(CC)C1OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H21F7O/c1-3-5-6-10-8-7-9(4-2)11(10)22-14(20,21)12(15,16)13(17,18)19/h9-11H,3-8H2,1-2H3
InChIKeyOSYRLRJIJOLSLA-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.31
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10874009
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CID 20781748
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-methyl-7-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluoro-2-methylnonan-3-yl)oxynonane
CID 56999091
2,2-Difluoro-9-methyl-1-propan-2-yloxydecane
CID 58275574
2,2-Difluoro-7-methyl-1-propan-2-yloxyoctane
CID 58275597
1-Ethyl-3-[3-(2,2,3,3,4,4,4-heptafluorobutoxy)propyl]cyclopentane
CID 58813222
1-Ethyl-3-[3-(2,2,3,3,3-pentafluoropropoxy)propyl]cyclopentane
CID 58813231
1-Ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 58813248
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(4-methylpentan-2-yloxy)octane
CID 88255836
2-[3-Fluoro-4-methyl-3-(trifluoromethyl)cyclopentyl]-3-methyloxirane
CID 88552908
1,1,1-Trifluoro-2-methoxy-3-methyldecane
CID 89339992
2,2-Difluoro-8-methyl-1-propan-2-yloxynonane
CID 117616970

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane?
The IUPAC name of 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane (CID 173379682) is 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane.
What is the SMILES notation for 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane?
The canonical SMILES for 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane is CCCCC1CCC(CC)C1OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane?
The InChIKey is OSYRLRJIJOLSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F7O/c1-3-5-6-10-8-7-9(4-2)11(10)22-14(20,21)12(15,16)13(17,18)19/h9-11H,3-8H2,1-2H3.
What are the key properties of 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane?
1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane has a molecular weight of 338.31 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2-(1,1,2,2,3,3,3-heptafluoropropoxy)cyclopentane is sourced from PubChem (CID 173379682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).