2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane

C10H8F10O — CID 59651421

IUPAC2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C10H8F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h4-5H,1-3H2
InChIKeyUNAVEBVHCRDBEH-UHFFFAOYSA-N
MW334.15 g/mol
LogP4.52
Rot. Bonds3

About 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane

2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane (PubChem CID 59651421) has the molecular formula C10H8F10O and a molecular weight of 334.15 g/mol. Its IUPAC name is 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane
PubChem CID59651421
Molecular FormulaC10H8F10O
Molecular Weight334.15 g/mol
Exact Mass334.04
IUPAC Name2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C(F)(F)C(F)(F)OC1(F)C2CCC(C2)C1(F)F
InChIInChI=1S/C10H8F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h4-5H,1-3H2
InChIKeyUNAVEBVHCRDBEH-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.15
LogP ≤ 54.52
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

(1S,2R,3R,4R)-2-fluoro-3-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
CID 10703737
2-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctoxy)bicyclo[2.2.1]heptane
CID 73106667
2-(2,2,2-Trifluoroethoxy)bicyclo[2.2.1]heptane
CID 85195159
2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecoxy)bicyclo[2.2.1]heptane
CID 102095187
2,3,3-Trifluorobicyclo[2.2.1]heptan-2-ol
CID 58819292
(1R,5S)-5-butoxy-2,2-difluorobicyclo[2.2.1]heptane
CID 68093549
(1R,4R,5S)-5-butoxy-2,2-difluorobicyclo[2.2.1]heptane
CID 68093667
(1R)-2,3,3-trifluorobicyclo[2.2.1]heptan-2-ol
CID 132185256
2-(1,1,1-Trifluorobutan-2-yloxy)bicyclo[2.2.1]heptane
CID 156358625
2,2,3-Trifluoro-3-(trifluoromethoxy)bicyclo[2.2.1]heptane
CID 163925062
(1R,2R,4R,5S)-2-fluoro-5-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
CID 10560464
(1R,2S,4R,5S)-2-fluoro-5-(2,2,2-trifluoroethoxy)bicyclo[2.2.1]heptane
CID 10560465

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane?
The IUPAC name of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane (CID 59651421) is 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane is FC(F)(F)C(F)(F)C(F)(F)OC1(F)C2CCC(C2)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane?
The InChIKey is UNAVEBVHCRDBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F10O/c11-6(12)4-1-2-5(3-4)7(6,13)21-10(19,20)8(14,15)9(16,17)18/h4-5H,1-3H2.
What are the key properties of 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane?
2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane has a molecular weight of 334.15 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)bicyclo[2.2.1]heptane is sourced from PubChem (CID 59651421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).