1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane

C10H6F14 — CID 20771098

IUPAC1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane
SMILESCC(F)(F)C1(F)C(F)(F)C(F)(C(C)(F)F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H6F14/c1-3(11,12)5(15)7(17,10(22,23)24)9(20,21)6(16,4(2,13)14)8(5,18)19/h1-2H3
InChIKeyCLUUKVOXSDJAEQ-UHFFFAOYSA-N
MW392.13 g/mol
LogP5.27
Rot. Bonds2

About 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane

1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane (PubChem CID 20771098) has the molecular formula C10H6F14 and a molecular weight of 392.13 g/mol. Its IUPAC name is 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane
PubChem CID20771098
Molecular FormulaC10H6F14
Molecular Weight392.13 g/mol
Exact Mass392.02
IUPAC Name1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane
SMILESCC(F)(F)C1(F)C(F)(F)C(F)(C(C)(F)F)C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C10H6F14/c1-3(11,12)5(15)7(17,10(22,23)24)9(20,21)6(16,4(2,13)14)8(5,18)19/h1-2H3
InChIKeyCLUUKVOXSDJAEQ-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.13
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane?
The IUPAC name of 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane (CID 20771098) is 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane is CC(F)(F)C1(F)C(F)(F)C(F)(C(C)(F)F)C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane?
The InChIKey is CLUUKVOXSDJAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F14/c1-3(11,12)5(15)7(17,10(22,23)24)9(20,21)6(16,4(2,13)14)8(5,18)19/h1-2H3.
What are the key properties of 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane?
1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane has a molecular weight of 392.13 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(1,1-difluoroethyl)-1,2,2,3,4,4,5-heptafluoro-5-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 20771098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).