4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine

C11H20F3NO — CID 115896543

IUPAC4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
SMILESCCC(NC(C)CC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO/c1-3-9(10-5-4-6-16-10)15-8(2)7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyATVOYAVQEGHNJI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.87
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine

4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine (PubChem CID 115896543) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
PubChem CID115896543
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine
SMILESCCC(NC(C)CC(F)(F)F)C1CCCO1
InChIInChI=1S/C11H20F3NO/c1-3-9(10-5-4-6-16-10)15-8(2)7-11(12,13)14/h8-10,15H,3-7H2,1-2H3
InChIKeyATVOYAVQEGHNJI-UHFFFAOYSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
CID 115896542
1-methoxy-N-[1-(oxolan-2-yl)propyl]butan-2-amine
CID 115896555
4,4-dimethyl-2-(methylamino)-N-[1-(oxolan-2-yl)propyl]pentanamide
CID 167850623
N-[1-(oxolan-2-yl)propyl]cycloheptanamine
CID 115896557
1-(oxolan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 82835407
4,4,4-trifluoro-N-methyl-1-(oxan-2-yl)butan-1-amine
CID 104992872
N-[1-(oxolan-2-yl)propyl]acetamide
CID 130615261
3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
2-(ethylamino)-2-(oxolan-2-yl)ethanol
CID 82838374
4-methyl-N-[1-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 115896540
2-methyl-N-[1-(oxolan-2-yl)propyl]cyclopentan-1-amine
CID 115896561
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine (CID 115896543) is 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine is CCC(NC(C)CC(F)(F)F)C1CCCO1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
The InChIKey is ATVOYAVQEGHNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-3-9(10-5-4-6-16-10)15-8(2)7-11(12,13)14/h8-10,15H,3-7H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine?
4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(oxolan-2-yl)propyl]butan-2-amine is sourced from PubChem (CID 115896543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).