1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine

C13H17F4NO — CID 55095198

IUPAC1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESNC(CCCOCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C13H17F4NO/c14-11-5-3-10(4-6-11)8-12(18)2-1-7-19-9-13(15,16)17/h3-6,12H,1-2,7-9,18H2
InChIKeyKRADLVSCQIDBHL-UHFFFAOYSA-N
MW279.28 g/mol
LogP3.05
Rot. Bonds7

About 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine

1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine (PubChem CID 55095198) has the molecular formula C13H17F4NO and a molecular weight of 279.28 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
PubChem CID55095198
Molecular FormulaC13H17F4NO
Molecular Weight279.28 g/mol
Exact Mass279.12
IUPAC Name1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
SMILESNC(CCCOCC(F)(F)F)Cc1ccc(F)cc1
InChIInChI=1S/C13H17F4NO/c14-11-5-3-10(4-6-11)8-12(18)2-1-7-19-9-13(15,16)17/h3-6,12H,1-2,7-9,18H2
InChIKeyKRADLVSCQIDBHL-UHFFFAOYSA-N
XLogP3.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62601816
1-(4-fluorophenyl)undecan-2-amine
CID 63412478
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
1-(4-fluorophenyl)octan-2-amine
CID 62600868
6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490622
2-amino-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 64571795
2-[(4-fluorophenyl)methyl]-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62515043
2-[(4-methoxyphenyl)methyl]-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62528589
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
1-(4-bromophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214570
1-[4-(2-methylpropyl)phenyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207070
1-(3,5-difluorophenyl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103216527

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine (CID 55095198) is 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine is NC(CCCOCC(F)(F)F)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
The InChIKey is KRADLVSCQIDBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F4NO/c14-11-5-3-10(4-6-11)8-12(18)2-1-7-19-9-13(15,16)17/h3-6,12H,1-2,7-9,18H2.
What are the key properties of 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine?
1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine has a molecular weight of 279.28 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine is sourced from PubChem (CID 55095198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).