N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

C10H18F3NO — CID 61490964

IUPACN-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCC1CCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-2-5-14-7-9-3-1-4-9/h9,14H,1-8H2
InChIKeyLBCZNNPLQAYGRJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds7

About N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine

N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 61490964) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID61490964
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESFC(F)(F)COCCCNCC1CCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-2-5-14-7-9-3-1-4-9/h9,14H,1-8H2
InChIKeyLBCZNNPLQAYGRJ-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.35
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

N-methyl-2-(2,2,2-trifluoroethoxymethyl)pentan-1-amine
CID 106705883
N-[1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propyl]-3-(trifluoromethyl)pentan-1-amine
CID 145366148
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4,4-dimethylpentan-1-amine
CID 153306615
N-[3-(2,2-dimethylpropoxy)-2,2-difluoropropyl]-4-methylpentan-1-amine
CID 156566719
N-(cyclobutylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490477
3-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61490928
N-(cyclopentylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491007
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61491008
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 61491233
N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-1-amine
CID 61491263
2-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62693282
3-ethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 63837582

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 61490964) is N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is FC(F)(F)COCCCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is LBCZNNPLQAYGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)8-15-6-2-5-14-7-9-3-1-4-9/h9,14H,1-8H2.
What are the key properties of N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine?
N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 61490964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).