1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine

C11H13F6N — CID 142869600

IUPAC1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
SMILESCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CN
InChIInChI=1S/C10H8F6.CH5N/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16;1-2/h3-5H,2H2,1H3;2H2,1H3
InChIKeyBFFXIGJBSJJPCJ-UHFFFAOYSA-N
MW273.22 g/mol
LogP3.86
Rot. Bonds1

About 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine

1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine (PubChem CID 142869600) has the molecular formula C11H13F6N and a molecular weight of 273.22 g/mol. Its IUPAC name is 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine.

Molecular Properties

Compound Name1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
PubChem CID142869600
Molecular FormulaC11H13F6N
Molecular Weight273.22 g/mol
Exact Mass273.10
IUPAC Name1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
SMILESCCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CN
InChIInChI=1S/C10H8F6.CH5N/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16;1-2/h3-5H,2H2,1H3;2H2,1H3
InChIKeyBFFXIGJBSJJPCJ-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-3-propyl-5-(trifluoromethyl)benzene
CID 134502293
1-ethyl-3-iodo-5-(trifluoromethyl)benzene
CID 154475261
1-[cyclobutyl(difluoro)methyl]-3-ethyl-5-(trifluoromethyl)benzene
CID 146290361
1-ethyl-3-ethylsulfanyl-5-(trifluoromethyl)benzene
CID 91876365
ethane;1-ethyl-3-propan-2-yl-5-(trifluoromethyl)benzene
CID 155737797
1-[3-ethyl-5-(trifluoromethyl)phenyl]ethanone
CID 146358849
1-[3,5-bis(trifluoromethyl)phenyl]butan-2-amine
CID 79020904
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-(2-ethyl-2-methylbutyl)-3,5-bis(trifluoromethyl)benzene
CID 134492440
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
CID 142869598
2-[4-[3-ethyl-5-(trifluoromethyl)phenyl]phenyl]-6-[4-[4-(trifluoromethyl)phenyl]phenyl]naphthalene
CID 170293712
1-(bromomethyl)-3,5-bis(trifluoromethyl)benzene;hydrobromide
CID 162568084

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine?
The IUPAC name of 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine (CID 142869600) is 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine.
What is the SMILES notation for 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine?
The canonical SMILES for 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine is CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1.CN.
What is the InChIKey of 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine?
The InChIKey is BFFXIGJBSJJPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6.CH5N/c1-2-6-3-7(9(11,12)13)5-8(4-6)10(14,15)16;1-2/h3-5H,2H2,1H3;2H2,1H3.
What are the key properties of 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine?
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine has a molecular weight of 273.22 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine is sourced from PubChem (CID 142869600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).