2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol

C10H19F4NO — CID 106290061

IUPAC2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-3-9(4-2,7-16)5-15-6-10(13,14)8(11)12/h8,15-16H,3-7H2,1-2H3
InChIKeyCGFVTNOIXMRBKO-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.28
Rot. Bonds8

About 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol

2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol (PubChem CID 106290061) has the molecular formula C10H19F4NO and a molecular weight of 245.26 g/mol. Its IUPAC name is 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol
PubChem CID106290061
Molecular FormulaC10H19F4NO
Molecular Weight245.26 g/mol
Exact Mass245.14
IUPAC Name2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-3-9(4-2,7-16)5-15-6-10(13,14)8(11)12/h8,15-16H,3-7H2,1-2H3
InChIKeyCGFVTNOIXMRBKO-UHFFFAOYSA-N
XLogP2.28
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
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 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol (CID 106290061) is 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol is CCC(CC)(CO)CNCC(F)(F)C(F)F.
What is the InChIKey of 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol?
The InChIKey is CGFVTNOIXMRBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO/c1-3-9(4-2,7-16)5-15-6-10(13,14)8(11)12/h8,15-16H,3-7H2,1-2H3.
What are the key properties of 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol?
2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol has a molecular weight of 245.26 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2,2,3,3-tetrafluoropropylamino)methyl]butan-1-ol is sourced from PubChem (CID 106290061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).