1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane

C10H10F10 — CID 59927780

IUPAC1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(C(F)(F)F)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H10F10/c11-7(9(15,16)17,10(18,19)20)6(8(12,13)14)4-2-1-3-5-6/h1-5H2
InChIKeyZQESCLNZHRLGMU-UHFFFAOYSA-N
MW320.17 g/mol
LogP5.33
Rot. Bonds1

About 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane

1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane (PubChem CID 59927780) has the molecular formula C10H10F10 and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane
PubChem CID59927780
Molecular FormulaC10H10F10
Molecular Weight320.17 g/mol
Exact Mass320.06
IUPAC Name1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(C(F)(F)F)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H10F10/c11-7(9(15,16)17,10(18,19)20)6(8(12,13)14)4-2-1-3-5-6/h1-5H2
InChIKeyZQESCLNZHRLGMU-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.17
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(1,1-dimethylcyclopentane);1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane;1-(1,1,2,2,3,3,3-heptafluoropropyl)-1-(trifluoromethyl)cyclohexane;methylcyclopentane;1,1,1,2,2-pentafluoroethane;1,1,2,2,2-pentafluoroethylcyclohexane;hexahydrofluoride
CID 161087762
1,1-bis(1,1,2,3,3,3-hexafluoropropyl)cyclohexane
CID 87672074
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
1-methyl-1-(trifluoromethyl)cyclopentane
CID 45098338
1-iodo-1-(trifluoromethyl)cyclobutane
CID 129099757
1-propan-2-yl-1-(trifluoromethyl)cycloheptane
CID 146637016
1,1-bis(fluoromethyl)cyclohexane
CID 58341484
N-ethyl-1-(trifluoromethyl)cycloheptan-1-amine
CID 66206789
[1-(trifluoromethyl)cyclohexyl] formate
CID 56976282
1-(bromomethyl)-1-(trifluoromethyl)cyclopentane
CID 121208299
methyl-[2-(trifluoromethyl)oxan-2-yl]silane
CID 174774289
N-[[1-(bromomethyl)cycloheptyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 65009978

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane (CID 59927780) is 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane is FC(F)(F)C1(C(F)(C(F)(F)F)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane?
The InChIKey is ZQESCLNZHRLGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F10/c11-7(9(15,16)17,10(18,19)20)6(8(12,13)14)4-2-1-3-5-6/h1-5H2.
What are the key properties of 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane?
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane has a molecular weight of 320.17 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 59927780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).