ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

C11H15F4N — CID 142344458

IUPACethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCC.CNCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4N.C2H6/c1-14-5-6-2-3-7(8(10)4-6)9(11,12)13;1-2/h2-4,14H,5H2,1H3;1-2H3
InChIKeyNTLWVUUYDUFEOI-UHFFFAOYSA-N
MW237.24 g/mol
LogP3.59
Rot. Bonds2

About ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 142344458) has the molecular formula C11H15F4N and a molecular weight of 237.24 g/mol. Its IUPAC name is ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID142344458
Molecular FormulaC11H15F4N
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Nameethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCC.CNCc1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C9H9F4N.C2H6/c1-14-5-6-2-3-7(8(10)4-6)9(11,12)13;1-2/h2-4,14H,5H2,1H3;1-2H3
InChIKeyNTLWVUUYDUFEOI-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Methylbenzylamine
CID 7669
4-Fluorobenzylamine
CID 67326
4-Methylbenzylamine
CID 66035
Isopropylbenzylamine
CID 66024
N-Ethylbenzylamine
CID 84352
N-Propylbenzylamine
CID 74850
1-[4-(Trifluoromethyl)benzyl]piperazine
CID 2782803
4-(Trifluoromethyl)benzylamine
CID 76804
Benzenemethanamine, N-methyl-4-(trifluoromethyl)-
CID 485420
2-Fluorobenzylamine
CID 66649
3-Fluorobenzylamine
CID 66853
N-Butylbenzylamine
CID 75467

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 142344458) is ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is CC.CNCc1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is NTLWVUUYDUFEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N.C2H6/c1-14-5-6-2-3-7(8(10)4-6)9(11,12)13;1-2/h2-4,14H,5H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 237.24 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 142344458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).