3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine

C11H21F4NO — CID 55092871

IUPAC3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine
SMILESCC(C)(C)CCNCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-10(2,3)4-5-16-6-7-17-8-11(14,15)9(12)13/h9,16H,4-8H2,1-3H3
InChIKeyATJRUQUNKQGYQK-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.93
Rot. Bonds8

About 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine

3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine (PubChem CID 55092871) has the molecular formula C11H21F4NO and a molecular weight of 259.29 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine
PubChem CID55092871
Molecular FormulaC11H21F4NO
Molecular Weight259.29 g/mol
Exact Mass259.16
IUPAC Name3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine
SMILESCC(C)(C)CCNCCOCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-10(2,3)4-5-16-6-7-17-8-11(14,15)9(12)13/h9,16H,4-8H2,1-3H3
InChIKeyATJRUQUNKQGYQK-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 58297123
N-[2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxyethyl]propan-1-amine
CID 138604544
2-methyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine;molecular hydrogen
CID 144110107
N-[2-(2,2-dimethylpropoxy)-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 164933170
1,1-difluoro-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 176747018
2,2-dimethyl-3-[2-methyl-2-(3,3,3-trifluoropropylamino)propoxy]-N-(3,3,3-trifluoropropyl)propan-1-amine
CID 177239850
N,N,2,2-tetramethyl-N'-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,3-diamine
CID 54961645
2,4,4-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 54979347
2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55063520
N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55077460
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55077461
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine (CID 55092871) is 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine is CC(C)(C)CCNCCOCC(F)(F)C(F)F.
What is the InChIKey of 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine?
The InChIKey is ATJRUQUNKQGYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F4NO/c1-10(2,3)4-5-16-6-7-17-8-11(14,15)9(12)13/h9,16H,4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine?
3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine is sourced from PubChem (CID 55092871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).