benzene;ethane;methanol;1,1,1-trifluoroethane

C11H19F3O — CID 91002688

IUPACbenzene;ethane;methanol;1,1,1-trifluoroethane
SMILESCC.CC(F)(F)F.CO.c1ccccc1
InChIInChI=1S/C6H6.C2H3F3.C2H6.CH4O/c1-2-4-6-5-3-1;1-2(3,4)5;2*1-2/h1-6H;1H3;1-2H3;2H,1H3
InChIKeyUGGLITNVCBZXNZ-UHFFFAOYSA-N
MW224.27 g/mol
LogP3.89
Rot. Bonds

About benzene;ethane;methanol;1,1,1-trifluoroethane

benzene;ethane;methanol;1,1,1-trifluoroethane (PubChem CID 91002688) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is benzene;ethane;methanol;1,1,1-trifluoroethane.

Molecular Properties

Compound Namebenzene;ethane;methanol;1,1,1-trifluoroethane
PubChem CID91002688
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Namebenzene;ethane;methanol;1,1,1-trifluoroethane
SMILESCC.CC(F)(F)F.CO.c1ccccc1
InChIInChI=1S/C6H6.C2H3F3.C2H6.CH4O/c1-2-4-6-5-3-1;1-2(3,4)5;2*1-2/h1-6H;1H3;1-2H3;2H,1H3
InChIKeyUGGLITNVCBZXNZ-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dibutyl(1,1,4,4,4-pentafluorobutyl)phenylstannane
CID 53440191
1-[Dimethyl(phenyl)silyl]-2,2,2-trifluoroethanol
CID 155931070
Methyl(hydroxymethyl)phenylphosphine
CID 12704068
Npc112006
CID 21965192
(2,2,2-Trifluoro-1-methoxyethyl)selanylbenzene
CID 85637906
Dibutyl-(1,1,2,2,2-pentafluoroethyl)-phenylstannane
CID 134878233
1,1,1-Trifluoro-3-phenylselanylpropan-2-ol
CID 134993277
Benzene methanol
CID 21927730
Phenylselenoethanol
CID 88417652
Ethanol ethanol ethanol-benzene
CID 90710186
(2,2-Difluoro-2-methoxyethyl)selanylbenzene
CID 12578042
(1,1,1-Trifluoro-3-methoxypropan-2-yl)selanylbenzene
CID 12586991

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanol;1,1,1-trifluoroethane?
The IUPAC name of benzene;ethane;methanol;1,1,1-trifluoroethane (CID 91002688) is benzene;ethane;methanol;1,1,1-trifluoroethane.
What is the SMILES notation for benzene;ethane;methanol;1,1,1-trifluoroethane?
The canonical SMILES for benzene;ethane;methanol;1,1,1-trifluoroethane is CC.CC(F)(F)F.CO.c1ccccc1.
What is the InChIKey of benzene;ethane;methanol;1,1,1-trifluoroethane?
The InChIKey is UGGLITNVCBZXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H3F3.C2H6.CH4O/c1-2-4-6-5-3-1;1-2(3,4)5;2*1-2/h1-6H;1H3;1-2H3;2H,1H3.
What are the key properties of benzene;ethane;methanol;1,1,1-trifluoroethane?
benzene;ethane;methanol;1,1,1-trifluoroethane has a molecular weight of 224.27 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanol;1,1,1-trifluoroethane is sourced from PubChem (CID 91002688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).