1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

C9H16F3NO — CID 103215393

IUPAC1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)CC1CCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-5-8(13)4-7-2-1-3-7/h7-8H,1-6,13H2
InChIKeyAPUJFYIRQZFLBQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.08
Rot. Bonds5

About 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine

1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (PubChem CID 103215393) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
PubChem CID103215393
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
SMILESNC(COCC(F)(F)F)CC1CCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)6-14-5-8(13)4-7-2-1-3-7/h7-8H,1-6,13H2
InChIKeyAPUJFYIRQZFLBQ-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-Difluorocyclobutyl)-2-methoxypropan-1-amine hydrochloride
CID 165994414
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
4,4,4-Trifluoro-1-(oxan-4-yl)butan-2-amine
CID 62604263
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 63559791
3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64505306
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505524
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-2-amine
CID 64718517
[2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclobutyl]methanamine
CID 81009629
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclobutan-1-amine
CID 81013926
2-[2-(2,2-Difluoroethoxy)ethyl]cyclopentan-1-amine
CID 82004231
2-[2-(4,4,4-Trifluorobutoxy)ethyl]cyclopentan-1-amine
CID 82789735

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The IUPAC name of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine (CID 103215393) is 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is NC(COCC(F)(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
The InChIKey is APUJFYIRQZFLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)6-14-5-8(13)4-7-2-1-3-7/h7-8H,1-6,13H2.
What are the key properties of 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine?
1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(2,2,2-trifluoroethoxy)propan-2-amine is sourced from PubChem (CID 103215393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).