1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine

C11H20F3NO — CID 103168855

IUPAC1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
SMILESCCOC1CC(CC(N)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-16-10-6-8(7-10)5-9(15)3-4-11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyUYIRZKQXXUHRJM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds6

About 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine

1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine (PubChem CID 103168855) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
PubChem CID103168855
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine
SMILESCCOC1CC(CC(N)CCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-16-10-6-8(7-10)5-9(15)3-4-11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyUYIRZKQXXUHRJM-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
(2S)-3,3-difluoro-4-[(2R,5S)-5-methyloxan-2-yl]butan-2-amine
CID 134353026
(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
4-Propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
CID 174262593
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491064
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 61491286
4-Propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61748328
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889
4-Ethyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751075
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 61751249

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine (CID 103168855) is 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine is CCOC1CC(CC(N)CCC(F)(F)F)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is UYIRZKQXXUHRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-16-10-6-8(7-10)5-9(15)3-4-11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine?
1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 103168855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).