4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine

C10H20F3NO — CID 103283158

IUPAC4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine
SMILESCCCC(C)COC(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-4-8(2)7-15-9(5-6-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyOIOPEKYSEYQQHK-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.72
Rot. Bonds7

About 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine

4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine (PubChem CID 103283158) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine
PubChem CID103283158
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine
SMILESCCCC(C)COC(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-3-4-8(2)7-15-9(5-6-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3
InChIKeyOIOPEKYSEYQQHK-UHFFFAOYSA-N
XLogP2.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine
CID 103283123
3-(3,3-dimethylbutoxy)-4,4,4-trifluorobutan-1-amine
CID 66232451
2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
2-(2-methylpentoxy)ethanamine
CID 62343431
1-(2-methylpentoxy)ethanol
CID 173285010
2-methylpentyl carbonofluoridate
CID 175528242
4-methylheptan-1-amine
CID 18618988
2-methylpentyl hypofluorite
CID 164530616
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545
4,4,4-trifluoro-3-methylbutan-1-amine
CID 10464414
N,3-dimethyl-2-(2-methylpentoxy)butan-1-amine
CID 103285664

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine (CID 103283158) is 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine is CCCC(C)COC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine?
The InChIKey is OIOPEKYSEYQQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-3-4-8(2)7-15-9(5-6-14)10(11,12)13/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine?
4,4,4-trifluoro-3-(2-methylpentoxy)butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.72, 7 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-methylpentoxy)butan-1-amine is sourced from PubChem (CID 103283158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).