1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine

C12H15F4N — CID 66466100

IUPAC1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)C(F)(F)F
InChIInChI=1S/C12H15F4N/c1-2-7-17-11(12(14,15)16)8-9-5-3-4-6-10(9)13/h3-6,11,17H,2,7-8H2,1H3
InChIKeyQVRPQRUZHZZQKO-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.30
Rot. Bonds5

About 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine

1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 66466100) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
PubChem CID66466100
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)C(F)(F)F
InChIInChI=1S/C12H15F4N/c1-2-7-17-11(12(14,15)16)8-9-5-3-4-6-10(9)13/h3-6,11,17H,2,7-8H2,1H3
InChIKeyQVRPQRUZHZZQKO-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
N-[1-(2,6-difluorophenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61066311
1-(2-fluorophenyl)-4,4-dimethyl-N-propylpentan-2-amine
CID 61066309
6,6,6-trifluoro-1-(2-fluorophenyl)-N-propylhexan-2-amine
CID 115516510
1-(2-bromophenyl)-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 63417230
1-(2-fluorophenyl)-3-methylsulfonyl-N-propylpropan-2-amine
CID 62472909
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
3-(4-chloro-3-fluorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 114013366
N-[2-(2-fluorophenyl)-1-(furan-3-yl)ethyl]propan-1-amine
CID 61064181
1-(2-fluorophenyl)-4-methoxy-N-propylpentan-2-amine
CID 113391483
N-[1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 43494023
[1-chloro-1,1-difluoro-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105265444

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine (CID 66466100) is 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccccc1F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is QVRPQRUZHZZQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-2-7-17-11(12(14,15)16)8-9-5-3-4-6-10(9)13/h3-6,11,17H,2,7-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine?
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine has a molecular weight of 249.25 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 66466100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).