benzene;ethane;methanamine;1,1,1-trifluoroethane

C11H20F3N — CID 91454507

IUPACbenzene;ethane;methanamine;1,1,1-trifluoroethane
SMILESCC.CC(F)(F)F.CN.c1ccccc1
InChIInChI=1S/C6H6.C2H3F3.C2H6.CH5N/c1-2-4-6-5-3-1;1-2(3,4)5;2*1-2/h1-6H;1H3;1-2H3;2H2,1H3
InChIKeyCBACNIFSQNFNKD-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.86
Rot. Bonds

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

benzene;ethane;methanamine;1,1,1-trifluoroethane (PubChem CID 91454507) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is benzene;ethane;methanamine;1,1,1-trifluoroethane.

Molecular Properties

Compound Namebenzene;ethane;methanamine;1,1,1-trifluoroethane
PubChem CID91454507
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Namebenzene;ethane;methanamine;1,1,1-trifluoroethane
SMILESCC.CC(F)(F)F.CN.c1ccccc1
InChIInChI=1S/C6H6.C2H3F3.C2H6.CH5N/c1-2-4-6-5-3-1;1-2(3,4)5;2*1-2/h1-6H;1H3;1-2H3;2H2,1H3
InChIKeyCBACNIFSQNFNKD-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanamine;1,1,1-trifluoroethane?
The IUPAC name of benzene;ethane;methanamine;1,1,1-trifluoroethane (CID 91454507) is benzene;ethane;methanamine;1,1,1-trifluoroethane.
What is the SMILES notation for benzene;ethane;methanamine;1,1,1-trifluoroethane?
The canonical SMILES for benzene;ethane;methanamine;1,1,1-trifluoroethane is CC.CC(F)(F)F.CN.c1ccccc1.
What is the InChIKey of benzene;ethane;methanamine;1,1,1-trifluoroethane?
The InChIKey is CBACNIFSQNFNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H3F3.C2H6.CH5N/c1-2-4-6-5-3-1;1-2(3,4)5;2*1-2/h1-6H;1H3;1-2H3;2H2,1H3.
What are the key properties of benzene;ethane;methanamine;1,1,1-trifluoroethane?
benzene;ethane;methanamine;1,1,1-trifluoroethane has a molecular weight of 223.28 g/mol, XLogP of 3.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanamine;1,1,1-trifluoroethane is sourced from PubChem (CID 91454507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).