N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine

C12H14F5N — CID 115528827

IUPACN-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1cccc(C(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H14F5N/c1-2-6-18-10(12(15,16)17)8-4-3-5-9(7-8)11(13)14/h3-5,7,10-11,18H,2,6H2,1H3
InChIKeyFSUBJMODVMJDMX-UHFFFAOYSA-N
MW267.24 g/mol
LogP4.23
Rot. Bonds5

About N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine

N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine (PubChem CID 115528827) has the molecular formula C12H14F5N and a molecular weight of 267.24 g/mol. Its IUPAC name is N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine
PubChem CID115528827
Molecular FormulaC12H14F5N
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC NameN-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1cccc(C(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H14F5N/c1-2-6-18-10(12(15,16)17)8-4-3-5-9(7-8)11(13)14/h3-5,7,10-11,18H,2,6H2,1H3
InChIKeyFSUBJMODVMJDMX-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-[3-(difluoromethyl)phenyl]-2,2-difluoroethyl]propan-1-amine
CID 113329159
N-[2,2,2-trifluoro-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]propan-1-amine
CID 43494261
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 66205176
N-[1-(3-bromo-4-propoxyphenyl)-2,2,2-trifluoroethyl]propan-1-amine
CID 104658111
2-ethyl-1-(3-fluorophenyl)-2-methoxy-N-propylbutan-1-amine
CID 116761475
2,2-dimethyl-1-[3-(2-methylpropyl)phenyl]-N-propylbutan-1-amine
CID 105050880
N-[2,2,2-trifluoro-1-(2,4,6-trifluorophenyl)ethyl]propan-1-amine
CID 43495790
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588
1-(3-cyclopropyloxyphenyl)-2,2-dimethyl-N-propylpropan-1-amine
CID 114521578
N-[1-(7-chloro-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
CID 105048576
1-(3-chlorophenyl)-2-N,2-N-diethyl-2-methyl-1-N-propylbutane-1,2-diamine
CID 79058576
3-methyl-N-propyl-1-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 60819147

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine?
The IUPAC name of N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine (CID 115528827) is N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine is CCCNC(c1cccc(C(F)F)c1)C(F)(F)F.
What is the InChIKey of N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine?
The InChIKey is FSUBJMODVMJDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N/c1-2-6-18-10(12(15,16)17)8-4-3-5-9(7-8)11(13)14/h3-5,7,10-11,18H,2,6H2,1H3.
What are the key properties of N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine?
N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine has a molecular weight of 267.24 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethyl)phenyl]-2,2,2-trifluoroethyl]propan-1-amine is sourced from PubChem (CID 115528827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).