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

C10H18F3NO2 — CID 82795253

IUPAC2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESNC(CO)(COCCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-7-9(14,6-15)8-2-3-8/h8,15H,1-7,14H2
InChIKeyHEOHQUSWQGANFI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.45
Rot. Bonds7

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

2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol (PubChem CID 82795253) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
PubChem CID82795253
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
SMILESNC(CO)(COCCCC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-7-9(14,6-15)8-2-3-8/h8,15H,1-7,14H2
InChIKeyHEOHQUSWQGANFI-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
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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Related Compounds

2-Cyclopropyl-2-(methylamino)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64803864
2-Amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 64805114
2-Amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
CID 66277704
2-Cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol
CID 82008852
2-Amino-2-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-ol
CID 82009682
2-Cyclopropyl-2-(methylamino)-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82793464
2-Cyclopropyl-2-(methylamino)-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 82957890
2-Amino-2-cyclopropyl-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 82959015
2-Amino-2-cyclopropyl-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propan-1-ol
CID 113728784
2-Amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol
CID 131591979
2-Amino-2-cyclopropyl-3-ethoxypropan-1-ol
CID 64803036
2-Amino-2-cyclopropyl-3-(2-methylbutan-2-yloxy)propan-1-ol
CID 64803165

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol (CID 82795253) is 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol is NC(CO)(COCCCC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
The InChIKey is HEOHQUSWQGANFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)4-1-5-16-7-9(14,6-15)8-2-3-8/h8,15H,1-7,14H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol has a molecular weight of 241.25 g/mol, XLogP of 1.45, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol is sourced from PubChem (CID 82795253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).