1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C12H21F4NO — CID 103475726

IUPAC1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)C(F)F)CC1CCC1
InChIInChI=1S/C12H21F4NO/c1-2-17-10(6-9-4-3-5-9)7-18-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3
InChIKeyXZXVSOFABZXAKX-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.07
Rot. Bonds9

About 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475726) has the molecular formula C12H21F4NO and a molecular weight of 271.30 g/mol. Its IUPAC name is 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475726
Molecular FormulaC12H21F4NO
Molecular Weight271.30 g/mol
Exact Mass271.16
IUPAC Name1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)C(F)F)CC1CCC1
InChIInChI=1S/C12H21F4NO/c1-2-17-10(6-9-4-3-5-9)7-18-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3
InChIKeyXZXVSOFABZXAKX-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475726) is 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCNC(COCC(F)(F)C(F)F)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is XZXVSOFABZXAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO/c1-2-17-10(6-9-4-3-5-9)7-18-8-12(15,16)11(13)14/h9-11,17H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 271.30 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-ethyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).