4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine

C11H20F3NO — CID 43753308

IUPAC4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
SMILESCC1CCCCC1OC(CCN)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8-4-2-3-5-9(8)16-10(6-7-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyIVKTYQNNKAGNJF-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds4

About 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine

4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine (PubChem CID 43753308) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
PubChem CID43753308
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine
SMILESCC1CCCCC1OC(CCN)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-8-4-2-3-5-9(8)16-10(6-7-15)11(12,13)14/h8-10H,2-7,15H2,1H3
InChIKeyIVKTYQNNKAGNJF-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine (CID 43753308) is 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine is CC1CCCCC1OC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine?
The InChIKey is IVKTYQNNKAGNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-4-2-3-5-9(8)16-10(6-7-15)11(12,13)14/h8-10H,2-7,15H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine?
4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(2-methylcyclohexyl)oxybutan-1-amine is sourced from PubChem (CID 43753308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).