3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine

C11H20F3NO — CID 103561942

IUPAC3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCC(C)C1CC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-8(2)9-5-10(6-9)15-3-4-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyFUBBMCBKULMZPE-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds6

About 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine

3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (PubChem CID 103561942) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
PubChem CID103561942
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCC(C)C1CC(NCCOCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-8(2)9-5-10(6-9)15-3-4-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyFUBBMCBKULMZPE-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 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 ≤ 52.59
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

2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine hydrochloride
CID 137838564
1,1,1,6,6,6-hexafluoro-N-(1-methoxypropan-2-yl)-3-methylhexan-3-amine
CID 117840547
N-[(4S)-4-fluoro-3-propan-2-ylhexyl]oxetan-3-amine
CID 137537142
2-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962010
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]heptan-2-amine
CID 54962012
2,3-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 54962115
4-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 55032057
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870
5-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]hexan-2-amine
CID 55092962
4-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733031
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733194
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 60733195

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (CID 103561942) is 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is CC(C)C1CC(NCCOCC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The InChIKey is FUBBMCBKULMZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)9-5-10(6-9)15-3-4-16-7-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 103561942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).