4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine

C11H13F4N — CID 61392693

IUPAC4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
SMILESCNC(Cc1ccccc1F)CC(F)(F)F
InChIInChI=1S/C11H13F4N/c1-16-9(7-11(13,14)15)6-8-4-2-3-5-10(8)12/h2-5,9,16H,6-7H2,1H3
InChIKeyCNMCEOOFEYWWJT-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.91
Rot. Bonds4

About 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine

4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine (PubChem CID 61392693) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
PubChem CID61392693
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine
SMILESCNC(Cc1ccccc1F)CC(F)(F)F
InChIInChI=1S/C11H13F4N/c1-16-9(7-11(13,14)15)6-8-4-2-3-5-10(8)12/h2-5,9,16H,6-7H2,1H3
InChIKeyCNMCEOOFEYWWJT-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 114347757
1-(2-fluorophenyl)-N-methyl-4-methylsulfonylbutan-2-amine
CID 55095130
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
1-(2-fluorophenyl)-N-methyl-4-propoxybutan-2-amine
CID 105090111
1-(2-chloro-4-methylphenyl)-3-(2-fluorophenyl)-N-methylpropan-2-amine
CID 106867049
1-(2-fluorophenyl)-4-(furan-2-yl)-N-methylbutan-2-amine
CID 61066306
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
N-ethyl-1-(2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024868
2-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]ethanamine
CID 104622284
N,4,4-trimethyl-1-(2-methylphenyl)pentan-2-amine
CID 61065068

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine (CID 61392693) is 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine is CNC(Cc1ccccc1F)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine?
The InChIKey is CNMCEOOFEYWWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-16-9(7-11(13,14)15)6-8-4-2-3-5-10(8)12/h2-5,9,16H,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine?
4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine has a molecular weight of 235.22 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-fluorophenyl)-N-methylbutan-2-amine is sourced from PubChem (CID 61392693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).