ethane;methanol;styrene;1,1,1-trifluoroethane

C13H21F3O — CID 91236392

IUPACethane;methanol;styrene;1,1,1-trifluoroethane
SMILESC=Cc1ccccc1.CC.CC(F)(F)F.CO
InChIInChI=1S/C8H8.C2H3F3.C2H6.CH4O/c1-2-8-6-4-3-5-7-8;1-2(3,4)5;2*1-2/h2-7H,1H2;1H3;1-2H3;2H,1H3
InChIKeyHQTHWCSJVVJIQP-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.53
Rot. Bonds1

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

ethane;methanol;styrene;1,1,1-trifluoroethane (PubChem CID 91236392) has the molecular formula C13H21F3O and a molecular weight of 250.30 g/mol. Its IUPAC name is ethane;methanol;styrene;1,1,1-trifluoroethane.

Molecular Properties

Compound Nameethane;methanol;styrene;1,1,1-trifluoroethane
PubChem CID91236392
Molecular FormulaC13H21F3O
Molecular Weight250.30 g/mol
Exact Mass250.15
IUPAC Nameethane;methanol;styrene;1,1,1-trifluoroethane
SMILESC=Cc1ccccc1.CC.CC(F)(F)F.CO
InChIInChI=1S/C8H8.C2H3F3.C2H6.CH4O/c1-2-8-6-4-3-5-7-8;1-2(3,4)5;2*1-2/h2-7H,1H2;1H3;1-2H3;2H,1H3
InChIKeyHQTHWCSJVVJIQP-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;methanol;styrene;1,1,1-trifluoroethane?
The IUPAC name of ethane;methanol;styrene;1,1,1-trifluoroethane (CID 91236392) is ethane;methanol;styrene;1,1,1-trifluoroethane.
What is the SMILES notation for ethane;methanol;styrene;1,1,1-trifluoroethane?
The canonical SMILES for ethane;methanol;styrene;1,1,1-trifluoroethane is C=Cc1ccccc1.CC.CC(F)(F)F.CO.
What is the InChIKey of ethane;methanol;styrene;1,1,1-trifluoroethane?
The InChIKey is HQTHWCSJVVJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H3F3.C2H6.CH4O/c1-2-8-6-4-3-5-7-8;1-2(3,4)5;2*1-2/h2-7H,1H2;1H3;1-2H3;2H,1H3.
What are the key properties of ethane;methanol;styrene;1,1,1-trifluoroethane?
ethane;methanol;styrene;1,1,1-trifluoroethane has a molecular weight of 250.30 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanol;styrene;1,1,1-trifluoroethane is sourced from PubChem (CID 91236392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).