N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine

C13H14F7N — CID 103311673

IUPACN-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H14F7N/c1-2-21-10(7-8-3-5-9(14)6-4-8)11(12(15,16)17)13(18,19)20/h3-6,10-11,21H,2,7H2,1H3
InChIKeyONFHXAJDSRYMHC-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.09
Rot. Bonds5

About N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine

N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311673) has the molecular formula C13H14F7N and a molecular weight of 317.25 g/mol. Its IUPAC name is N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
PubChem CID103311673
Molecular FormulaC13H14F7N
Molecular Weight317.25 g/mol
Exact Mass317.10
IUPAC NameN-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine
SMILESCCNC(Cc1ccc(F)cc1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H14F7N/c1-2-21-10(7-8-3-5-9(14)6-4-8)11(12(15,16)17)13(18,19)20/h3-6,10-11,21H,2,7H2,1H3
InChIKeyONFHXAJDSRYMHC-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-4,4,4-trifluoro-1-pyridin-4-yl-3-(trifluoromethyl)butan-2-amine
CID 103312085
N-ethyl-1-(4-fluorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724680
N-ethyl-1-(4-fluorophenyl)-3-phenylpentan-2-amine
CID 115786119
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
1-(2-chlorophenyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103311717
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
CID 103311641
N-ethyl-4,4,4-trifluoro-1-(2-methyl-1,3-thiazol-4-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312071
2-N-ethyl-1-(4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 79053308
1-(5-bromo-2-pyridinyl)-N-ethyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312276
3-ethyl-1-(4-fluorophenyl)-N-methylpentan-2-amine
CID 61065370
1-(3,4-difluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 82909863
[3-ethyl-1-(4-fluorophenyl)pentan-2-yl]hydrazine
CID 105198180

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine (CID 103311673) is N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine is CCNC(Cc1ccc(F)cc1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine?
The InChIKey is ONFHXAJDSRYMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F7N/c1-2-21-10(7-8-3-5-9(14)6-4-8)11(12(15,16)17)13(18,19)20/h3-6,10-11,21H,2,7H2,1H3.
What are the key properties of N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine?
N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine has a molecular weight of 317.25 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,4,4-trifluoro-1-(4-fluorophenyl)-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).