3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine

C9H17F4NO — CID 45283084

IUPAC3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
SMILESCC(C)(C)C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO/c1-8(2,3)6(14)4-15-5-9(12,13)7(10)11/h6-7H,4-5,14H2,1-3H3
InChIKeyYKRYQKKZYVGRHA-UHFFFAOYSA-N
MW231.23 g/mol
LogP2.28
Rot. Bonds5

About 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine

3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine (PubChem CID 45283084) has the molecular formula C9H17F4NO and a molecular weight of 231.23 g/mol. Its IUPAC name is 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
PubChem CID45283084
Molecular FormulaC9H17F4NO
Molecular Weight231.23 g/mol
Exact Mass231.12
IUPAC Name3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
SMILESCC(C)(C)C(N)COCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO/c1-8(2,3)6(14)4-15-5-9(12,13)7(10)11/h6-7H,4-5,14H2,1-3H3
InChIKeyYKRYQKKZYVGRHA-UHFFFAOYSA-N
XLogP2.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine (CID 45283084) is 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine is CC(C)(C)C(N)COCC(F)(F)C(F)F.
What is the InChIKey of 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The InChIKey is YKRYQKKZYVGRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO/c1-8(2,3)6(14)4-15-5-9(12,13)7(10)11/h6-7H,4-5,14H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine has a molecular weight of 231.23 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine is sourced from PubChem (CID 45283084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).