4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine

C8H13F6NO — CID 82788343

IUPAC4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine
SMILESCC(N)C(OCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-5(15)6(8(12,13)14)16-4-2-3-7(9,10)11/h5-6H,2-4,15H2,1H3
InChIKeyIOCGZAHFYZPJNC-UHFFFAOYSA-N
MW253.19 g/mol
LogP2.62
Rot. Bonds5

About 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine

4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine (PubChem CID 82788343) has the molecular formula C8H13F6NO and a molecular weight of 253.19 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine
PubChem CID82788343
Molecular FormulaC8H13F6NO
Molecular Weight253.19 g/mol
Exact Mass253.09
IUPAC Name4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine
SMILESCC(N)C(OCCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6NO/c1-5(15)6(8(12,13)14)16-4-2-3-7(9,10)11/h5-6H,2-4,15H2,1H3
InChIKeyIOCGZAHFYZPJNC-UHFFFAOYSA-N
XLogP2.62
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 52.62
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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Related Compounds

4,4,4-trifluoro-3-(2-methylpentoxy)butan-2-amine
CID 103283123
1-(4-fluorophenyl)-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 107523928
4-[1-(4,4,4-trifluorobutoxy)ethyl]aniline
CID 82789714
3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-2-amine
CID 66322799
1,1,1-trifluoro-5-pentan-2-yloxypentane
CID 54355138
N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
CID 82793136
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
1-(4,4-dimethylpentoxy)ethanamine
CID 134445550
ethyl 2-(4,4,4-trifluorobutoxy)pentanoate
CID 83038838
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
CID 106811572

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine (CID 82788343) is 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine is CC(N)C(OCCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine?
The InChIKey is IOCGZAHFYZPJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6NO/c1-5(15)6(8(12,13)14)16-4-2-3-7(9,10)11/h5-6H,2-4,15H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine?
4,4,4-trifluoro-3-(4,4,4-trifluorobutoxy)butan-2-amine has a molecular weight of 253.19 g/mol, XLogP of 2.62, 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-3-(4,4,4-trifluorobutoxy)butan-2-amine is sourced from PubChem (CID 82788343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).