3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol

C10H18F3NO2 — CID 114358366

IUPAC3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-8(6-15)9(14)7-2-3-7/h7-9,15H,1-6,14H2
InChIKeyCHNBPTIPHBCWEC-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.44
Rot. Bonds7

About 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol

3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol (PubChem CID 114358366) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol
PubChem CID114358366
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-8(6-15)9(14)7-2-3-7/h7-9,15H,1-6,14H2
InChIKeyCHNBPTIPHBCWEC-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol (CID 114358366) is 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol is NC(C1CC1)C(CO)OCCCC(F)(F)F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol?
The InChIKey is CHNBPTIPHBCWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-8(6-15)9(14)7-2-3-7/h7-9,15H,1-6,14H2.
What are the key properties of 3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(4,4,4-trifluorobutoxy)propan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.44, 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-(4,4,4-trifluorobutoxy)propan-1-ol is sourced from PubChem (CID 114358366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).