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

C11H15F4N — CID 145483743

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

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

ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 145483743) has the molecular formula C11H15F4N and a molecular weight of 237.24 g/mol. Its IUPAC name is ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Nameethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID145483743
Molecular FormulaC11H15F4N
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Nameethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCC.CNCc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N.C2H6/c1-14-5-6-2-3-8(10)7(4-6)9(11,12)13;1-2/h2-4,14H,5H2,1H3;1-2H3
InChIKeyRGJFDERNTXHROU-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

ethane;1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 142344458
4-(bromomethyl)-1-fluoro-2-(trifluoromethyl)benzene;ethane
CID 155731469
1-[4-fluoro-3-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 107289695
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2,2-dimethylbutan-1-amine
CID 103460427
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851137
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methylamino]-N-methylethanesulfonamide
CID 102674765
[4-fluoro-3-(trifluoromethyl)phenyl]methyl hypofluorite
CID 144961841
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-3-methylbut-2-en-1-amine
CID 103527880
1-[4-fluoro-3-(trifluoromethoxy)phenyl]-N-methylmethanamine
CID 70907082
N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-propan-2-yloxyethanamine
CID 104588155
1-fluoro-4-[2-(4-methylphenyl)ethyl]-2-(trifluoromethyl)benzene
CID 59545613
2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
CID 156907937

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 145483743) is ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is CC.CNCc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is RGJFDERNTXHROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N.C2H6/c1-14-5-6-2-3-8(10)7(4-6)9(11,12)13;1-2/h2-4,14H,5H2,1H3;1-2H3.
What are the key properties of ethane;1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine?
ethane;1-[4-fluoro-3-(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-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 145483743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).