2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

C11H21F4NO — CID 55063520

IUPAC2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCCNCC(C)(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-4-6-16-7-10(3,5-2)17-8-11(14,15)9(12)13/h9,16H,4-8H2,1-3H3
InChIKeyKVYDDGIWCHGADU-UHFFFAOYSA-N
MW259.29 g/mol
LogP3.07
Rot. Bonds9

About 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (PubChem CID 55063520) has the molecular formula C11H21F4NO and a molecular weight of 259.29 g/mol. Its IUPAC name is 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
PubChem CID55063520
Molecular FormulaC11H21F4NO
Molecular Weight259.29 g/mol
Exact Mass259.16
IUPAC Name2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCCCNCC(C)(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C11H21F4NO/c1-4-6-16-7-10(3,5-2)17-8-11(14,15)9(12)13/h9,16H,4-8H2,1-3H3
InChIKeyKVYDDGIWCHGADU-UHFFFAOYSA-N
XLogP3.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 53.07
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-Ethyl-2-(trifluoromethyl)morpholine hydrochloride
CID 126838153
7-Methyl-7-(trifluoromethyl)-1,4-oxazepane
CID 138039599
N-[2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxyethyl]propan-2-amine
CID 57916980
2,2,2-trifluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 62599025
N-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
2-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)oxy-N-methylethanamine
CID 89146026
3-Ethoxy-3-(trifluoromethyl)pyrrolidine
CID 121203299
3-(Propan-2-yloxy)-3-(trifluoromethyl)pyrrolidine
CID 124162735
2-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxy-N-methylethanamine
CID 126551519
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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The IUPAC name of 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (CID 55063520) is 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is CCCNCC(C)(CC)OCC(F)(F)C(F)F.
What is the InChIKey of 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The InChIKey is KVYDDGIWCHGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F4NO/c1-4-6-16-7-10(3,5-2)17-8-11(14,15)9(12)13/h9,16H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 3.07, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is sourced from PubChem (CID 55063520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).