4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine

C12H22F3NO — CID 174262593

IUPAC4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
SMILESCC(C)OCCCC(N)C1(C(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO/c1-9(2)17-8-3-5-10(16)11(6-4-7-11)12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyNGFQOJNMPKFTLU-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds6

About 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine

4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine (PubChem CID 174262593) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
PubChem CID174262593
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine
SMILESCC(C)OCCCC(N)C1(C(F)(F)F)CCC1
InChIInChI=1S/C12H22F3NO/c1-9(2)17-8-3-5-10(16)11(6-4-7-11)12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyNGFQOJNMPKFTLU-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
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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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine?
The IUPAC name of 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine (CID 174262593) is 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine.
What is the SMILES notation for 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine?
The canonical SMILES for 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine is CC(C)OCCCC(N)C1(C(F)(F)F)CCC1.
What is the InChIKey of 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine?
The InChIKey is NGFQOJNMPKFTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)17-8-3-5-10(16)11(6-4-7-11)12(13,14)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine?
4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-1-[1-(trifluoromethyl)cyclobutyl]butan-1-amine is sourced from PubChem (CID 174262593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).