[1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane

C13H10F16O — CID 173379710

IUPAC[1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane
SMILESFC(OC(F)(F)F)C(F)(C1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F16O/c14-6(30-13(27,28)29)7(15,5-3-1-2-4-5)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h5-6H,1-4H2
InChIKeyDQOYGKQDQYIBBH-UHFFFAOYSA-N
MW486.19 g/mol
LogP6.82
Rot. Bonds7

About [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane

[1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane (PubChem CID 173379710) has the molecular formula C13H10F16O and a molecular weight of 486.19 g/mol. Its IUPAC name is [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane.

Molecular Properties

Compound Name[1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane
PubChem CID173379710
Molecular FormulaC13H10F16O
Molecular Weight486.19 g/mol
Exact Mass486.05
IUPAC Name[1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane
SMILESFC(OC(F)(F)F)C(F)(C1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H10F16O/c14-6(30-13(27,28)29)7(15,5-3-1-2-4-5)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h5-6H,1-4H2
InChIKeyDQOYGKQDQYIBBH-UHFFFAOYSA-N
XLogP6.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.19
LogP ≤ 56.82
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

3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane
CID 2775160
3-(Iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 11124432
3-(5-Ethoxy-2,2,3,3-tetrafluoropentyl)-4-methyloxolane
CID 11778000
3-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)-4-methyloxolane
CID 85267668
3-Methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
3-Methyl-4-(2,2,3,3,4,4,5,5-octafluoropentyl)oxolane
CID 101115660
3-(1,1-Difluoroethyl)-1-[difluoro(fluoromethoxy)methyl]-4-ethyl-1,2,2,3-tetrafluorocyclopentane
CID 58425859
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
3-Ethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)oxolane
CID 89181081
3-Ethyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecyl)oxolane
CID 117878757

Frequently Asked Questions

What is the IUPAC name of [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane?
The IUPAC name of [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane (CID 173379710) is [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane.
What is the SMILES notation for [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane?
The canonical SMILES for [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane is FC(OC(F)(F)F)C(F)(C1CCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane?
The InChIKey is DQOYGKQDQYIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F16O/c14-6(30-13(27,28)29)7(15,5-3-1-2-4-5)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)26/h5-6H,1-4H2.
What are the key properties of [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane?
[1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane has a molecular weight of 486.19 g/mol, XLogP of 6.82, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-1-(trifluoromethoxy)heptan-2-yl]cyclopentane is sourced from PubChem (CID 173379710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).