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

C9H17F4NO2 — CID 114358137

IUPAC3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-5(2)7(14)6(3-15)16-4-9(12,13)8(10)11/h5-8,15H,3-4,14H2,1-2H3
InChIKeyRQIXIDDSYAJWGS-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.25
Rot. Bonds7

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

3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol (PubChem CID 114358137) has the molecular formula C9H17F4NO2 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
PubChem CID114358137
Molecular FormulaC9H17F4NO2
Molecular Weight247.23 g/mol
Exact Mass247.12
IUPAC Name3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4NO2/c1-5(2)7(14)6(3-15)16-4-9(12,13)8(10)11/h5-8,15H,3-4,14H2,1-2H3
InChIKeyRQIXIDDSYAJWGS-UHFFFAOYSA-N
XLogP1.25
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methyl-2-propoxypentan-1-ol
CID 114358171
3-amino-2-(2-ethoxyethoxy)-4-methylpentan-1-ol
CID 114358005
3-amino-4-methyl-2-pentoxypentan-1-ol
CID 114358183
(4S)-2,5-dimethyl-4-(2,2,3,3-tetrafluoropropoxy)hexan-3-one
CID 176614604
3-amino-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
CID 104840639
1-[(1S)-1-(2,2,3,3-tetrafluoropropoxy)ethoxy]butane
CID 95757070
3-amino-2-(2-ethylhexoxy)-4-methylpentan-1-ol
CID 114358105
3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
CID 43175362
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
CID 167252091
3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993438
1,1,2,2-tetrafluoro-3-hydroperoxypropane
CID 162542165
3-amino-2-cyclobutyloxy-4-methylpentan-1-ol
CID 114358246

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol (CID 114358137) is 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol is CC(C)C(N)C(CO)OCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
The InChIKey is RQIXIDDSYAJWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4NO2/c1-5(2)7(14)6(3-15)16-4-9(12,13)8(10)11/h5-8,15H,3-4,14H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol?
3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol has a molecular weight of 247.23 g/mol, XLogP of 1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentan-1-ol is sourced from PubChem (CID 114358137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).