acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane

C14H16F6O2 — CID 143388365

IUPACacetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
SMILESC#C.CC.FC(F)(F)COc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C10H8F6O2.C2H6.C2H2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16;2*1-2/h1-4H,5-6H2;1-2H3;1-2H
InChIKeyMNBAOOPQGOPRAC-UHFFFAOYSA-N
MW330.27 g/mol
LogP4.84
Rot. Bonds4

About acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane

acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane (PubChem CID 143388365) has the molecular formula C14H16F6O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane.

Molecular Properties

Compound Nameacetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
PubChem CID143388365
Molecular FormulaC14H16F6O2
Molecular Weight330.27 g/mol
Exact Mass330.11
IUPAC Nameacetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
SMILESC#C.CC.FC(F)(F)COc1ccc(OCC(F)(F)F)cc1
InChIInChI=1S/C10H8F6O2.C2H6.C2H2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16;2*1-2/h1-4H,5-6H2;1-2H3;1-2H
InChIKeyMNBAOOPQGOPRAC-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 89284542
CID 89284542
1-(2-bromoethyl)-4-(2,2,2-trifluoroethoxy)benzene
CID 67763209
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43425654
1-(3-iodopropoxy)-4-(2,2,2-trifluoroethoxy)benzene
CID 119093818
1-[4-(2,2,2-trifluoroethoxy)phenyl]propan-2-amine
CID 60907315
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
CID 146049120
N-(3-methylbutan-2-yl)-4-(2,2,2-trifluoroethoxy)aniline
CID 43686735
1-[4-[4-(2,2,2-trifluoroethoxy)phenyl]phenyl]ethanone
CID 176900313
2-[4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
CID 14579126
N-butan-2-yl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686731
4-[[4-(2,2,2-trifluoroethoxy)phenyl]diazenyl]phenol
CID 136880814
2-bromo-1-methyl-4-(2,2,2-trifluoroethoxy)benzene
CID 130995615

Frequently Asked Questions

What is the IUPAC name of acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane?
The IUPAC name of acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane (CID 143388365) is acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane.
What is the SMILES notation for acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane?
The canonical SMILES for acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane is C#C.CC.FC(F)(F)COc1ccc(OCC(F)(F)F)cc1.
What is the InChIKey of acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane?
The InChIKey is MNBAOOPQGOPRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2.C2H6.C2H2/c11-9(12,13)5-17-7-1-2-8(4-3-7)18-6-10(14,15)16;2*1-2/h1-4H,5-6H2;1-2H3;1-2H.
What are the key properties of acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane?
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane has a molecular weight of 330.27 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane is sourced from PubChem (CID 143388365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).