N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

C14H17F6N — CID 79954040

IUPACN-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F6N/c1-2-21-12(7-8-13(15,16)17)9-10-3-5-11(6-4-10)14(18,19)20/h3-6,12,21H,2,7-9H2,1H3
InChIKeyRQVBYJKEUCIHJO-UHFFFAOYSA-N
MW313.29 g/mol
LogP4.57
Rot. Bonds6

About N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine

N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (PubChem CID 79954040) has the molecular formula C14H17F6N and a molecular weight of 313.29 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
PubChem CID79954040
Molecular FormulaC14H17F6N
Molecular Weight313.29 g/mol
Exact Mass313.13
IUPAC NameN-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
SMILESCCNC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F6N/c1-2-21-12(7-8-13(15,16)17)9-10-3-5-11(6-4-10)14(18,19)20/h3-6,12,21H,2,7-9H2,1H3
InChIKeyRQVBYJKEUCIHJO-UHFFFAOYSA-N
XLogP4.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 64566592
5,5,5-trifluoro-N-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 79953449
N,4-diethyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 105028045
N-ethyl-1-thiophen-2-yl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62604911
N-ethyl-1,1-difluoro-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 103516579
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
N-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-amine
CID 55040773
N-propyl-1-[4-(trifluoromethyl)phenyl]hex-5-en-2-amine
CID 104987546
5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 79953429
[1-(4-ethylphenyl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105248876
(2S)-2-(ethylamino)-3-[4-(trifluoromethyl)phenyl]propanoic acid
CID 175779531
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine (CID 79954040) is N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is CCNC(CCC(F)(F)F)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
The InChIKey is RQVBYJKEUCIHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N/c1-2-21-12(7-8-13(15,16)17)9-10-3-5-11(6-4-10)14(18,19)20/h3-6,12,21H,2,7-9H2,1H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine?
N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine has a molecular weight of 313.29 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-[4-(trifluoromethyl)phenyl]pentan-2-amine is sourced from PubChem (CID 79954040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).