N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine

C12H15F4N — CID 84728944

IUPACN-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(C(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4N/c1-8(17-2)7-9-3-5-10(6-4-9)12(15,16)11(13)14/h3-6,8,11,17H,7H2,1-2H3
InChIKeyGLIIFWRSJRWSFD-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.19
Rot. Bonds5

About N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine

N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine (PubChem CID 84728944) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
PubChem CID84728944
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC NameN-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
SMILESCNC(C)Cc1ccc(C(F)(F)C(F)F)cc1
InChIInChI=1S/C12H15F4N/c1-8(17-2)7-9-3-5-10(6-4-9)12(15,16)11(13)14/h3-6,8,11,17H,7H2,1-2H3
InChIKeyGLIIFWRSJRWSFD-UHFFFAOYSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 84726402
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-methyl-1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-2-amine
CID 115494781
N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
2-[4-(1,1,2,2-tetrafluoroethyl)phenyl]ethanamine
CID 84724736
N-methyl-1-(4-phenylphenyl)propan-2-amine
CID 82540674
5-(4-tert-butylphenyl)-N,4-dimethylpentan-2-amine
CID 64719182
(2S)-N-methyl-1-[3-[4-(trifluoromethyl)phenoxy]phenyl]propan-2-amine
CID 174662379
potassium;hydride;N-methyl-1-phenylpropan-2-amine
CID 175165101
(2R)-2-[1-[4-(trifluoromethyl)phenyl]propan-2-ylamino]propanoic acid
CID 122038148
N-methyl-1-propan-2-yloxy-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013128
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
The IUPAC name of N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine (CID 84728944) is N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
The canonical SMILES for N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine is CNC(C)Cc1ccc(C(F)(F)C(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
The InChIKey is GLIIFWRSJRWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-8(17-2)7-9-3-5-10(6-4-9)12(15,16)11(13)14/h3-6,8,11,17H,7H2,1-2H3.
What are the key properties of N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine?
N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine has a molecular weight of 249.25 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine is sourced from PubChem (CID 84728944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).