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

C11H12F5N — CID 66205176

IUPACN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C11H12F5N/c1-2-6-17-10(11(14,15)16)7-4-3-5-8(12)9(7)13/h3-5,10,17H,2,6H2,1H3
InChIKeyHVIUDARWMWKVFF-UHFFFAOYSA-N
MW253.21 g/mol
LogP3.57
Rot. Bonds4

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

N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine (PubChem CID 66205176) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
PubChem CID66205176
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC NameN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1F)C(F)(F)F
InChIInChI=1S/C11H12F5N/c1-2-6-17-10(11(14,15)16)7-4-3-5-8(12)9(7)13/h3-5,10,17H,2,6H2,1H3
InChIKeyHVIUDARWMWKVFF-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[bis(2,3-difluorophenyl)methyl]propan-1-amine
CID 115862083
1-(2,3-difluorophenyl)-2-ethyl-N-propylbutan-1-amine
CID 115862073
2-(2,3-difluorophenyl)-N-propylhexan-3-amine
CID 114059600
2-(2,3-difluorophenyl)-2-(propylamino)acetamide
CID 63668774
1-(2,3-difluorophenyl)-N-propylnonan-1-amine
CID 115835811
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
N-[(2,3-difluorophenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 63988399
3-(2,3-difluorophenyl)-3-(propylamino)propanoic acid
CID 65234358
N-[(2-bromo-6-fluorophenyl)-(2,3-difluorophenyl)methyl]propan-1-amine
CID 114887381
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
N-[(2,3-difluorophenyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 63502473
N-[(2,3-difluorophenyl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 63502673

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine (CID 66205176) is N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine is CCCNC(c1cccc(F)c1F)C(F)(F)F.
What is the InChIKey of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine?
The InChIKey is HVIUDARWMWKVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c1-2-6-17-10(11(14,15)16)7-4-3-5-8(12)9(7)13/h3-5,10,17H,2,6H2,1H3.
What are the key properties of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine?
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine has a molecular weight of 253.21 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]propan-1-amine is sourced from PubChem (CID 66205176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).