1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine

C13H18F3N — CID 113326937

IUPAC1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
SMILESCCc1ccc(C(N)CCCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-2-10-5-7-11(8-6-10)12(17)4-3-9-13(14,15)16/h5-8,12H,2-4,9,17H2,1H3
InChIKeyNFYNYFHMKHDVMB-UHFFFAOYSA-N
MW245.29 g/mol
LogP3.98
Rot. Bonds5

About 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine

1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine (PubChem CID 113326937) has the molecular formula C13H18F3N and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
PubChem CID113326937
Molecular FormulaC13H18F3N
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine
SMILESCCc1ccc(C(N)CCCC(F)(F)F)cc1
InChIInChI=1S/C13H18F3N/c1-2-10-5-7-11(8-6-10)12(17)4-3-9-13(14,15)16/h5-8,12H,2-4,9,17H2,1H3
InChIKeyNFYNYFHMKHDVMB-UHFFFAOYSA-N
XLogP3.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515423
1-(4-tert-butylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024260
1-(4-ethylphenyl)decan-1-amine
CID 63412475
1-(3,4-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105023906
1-(4-ethylphenyl)oct-7-en-1-amine
CID 107008823
1-(3,5-dichlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024184
(1R)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 66516086
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
1-(4-ethylphenyl)-2-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82789164
1-(4-bromo-3-chlorophenyl)-5,5,5-trifluoropentan-1-amine
CID 105024152
2-bromo-1-(4-ethylphenyl)-2,2-difluoroethanol
CID 107140096
4,4,4-trifluoro-1-[4-(trifluoromethoxy)phenyl]butan-1-amine
CID 104992805

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine (CID 113326937) is 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine is CCc1ccc(C(N)CCCC(F)(F)F)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is NFYNYFHMKHDVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N/c1-2-10-5-7-11(8-6-10)12(17)4-3-9-13(14,15)16/h5-8,12H,2-4,9,17H2,1H3.
What are the key properties of 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine?
1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 245.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 113326937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).