3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol

C10H19F4NO2 — CID 114358138

IUPAC3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO2/c1-9(2,3)7(15)6(4-16)17-5-10(13,14)8(11)12/h6-8,16H,4-5,15H2,1-3H3
InChIKeyJLKBFMMIUOCIPM-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.64
Rot. Bonds6

About 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol

3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol (PubChem CID 114358138) has the molecular formula C10H19F4NO2 and a molecular weight of 261.26 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
PubChem CID114358138
Molecular FormulaC10H19F4NO2
Molecular Weight261.26 g/mol
Exact Mass261.14
IUPAC Name3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
SMILESCC(C)(C)C(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO2/c1-9(2,3)7(15)6(4-16)17-5-10(13,14)8(11)12/h6-8,16H,4-5,15H2,1-3H3
InChIKeyJLKBFMMIUOCIPM-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol (CID 114358138) is 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol is CC(C)(C)C(N)C(CO)OCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The InChIKey is JLKBFMMIUOCIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO2/c1-9(2,3)7(15)6(4-16)17-5-10(13,14)8(11)12/h6-8,16H,4-5,15H2,1-3H3.
What are the key properties of 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol has a molecular weight of 261.26 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol is sourced from PubChem (CID 114358138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).