3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol

C9H15F4NO2 — CID 114358136

IUPAC3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c10-8(11)9(12,13)4-16-6(3-15)7(14)5-1-2-5/h5-8,15H,1-4,14H2
InChIKeySJHPPMANVCTXPA-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.00
Rot. Bonds7

About 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol

3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol (PubChem CID 114358136) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol
PubChem CID114358136
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Name3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c10-8(11)9(12,13)4-16-6(3-15)7(14)5-1-2-5/h5-8,15H,1-4,14H2
InChIKeySJHPPMANVCTXPA-UHFFFAOYSA-N
XLogP1.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.00
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-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol (CID 114358136) is 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol is NC(C1CC1)C(CO)OCC(F)(F)C(F)F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol?
The InChIKey is SJHPPMANVCTXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c10-8(11)9(12,13)4-16-6(3-15)7(14)5-1-2-5/h5-8,15H,1-4,14H2.
What are the key properties of 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol has a molecular weight of 245.22 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-ol is sourced from PubChem (CID 114358136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).