N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine

C11H13F4N — CID 43488899

IUPACN-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F4N/c1-2-16-10(7-11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10,16H,2,7H2,1H3
InChIKeyZQIXMKYOSHTCCM-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.43
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine

N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine (PubChem CID 43488899) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
PubChem CID43488899
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C11H13F4N/c1-2-16-10(7-11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10,16H,2,7H2,1H3
InChIKeyZQIXMKYOSHTCCM-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
1-(3,4-dimethylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 43488017
N-ethyl-3,3,3-trifluoro-1-[4-(2-methoxyethyl)phenyl]propan-1-amine
CID 43489780
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105087874
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498
N-ethyl-1-(4-fluorophenyl)-2-propylsulfanylethanamine
CID 65128632
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078
1-[[3-(ethylamino)-3-(4-fluorophenyl)propyl]-methylamino]-2-methylpropan-2-ol
CID 79376938
5-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,3-dimethylbenzimidazol-2-one
CID 62298672
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
2-(4-hydroxyphenyl)-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]acetamide
CID 124573471

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine (CID 43488899) is N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine is CCNC(CC(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine?
The InChIKey is ZQIXMKYOSHTCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-2-16-10(7-11(13,14)15)8-3-5-9(12)6-4-8/h3-6,10,16H,2,7H2,1H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 43488899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).