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

C8H14F3NO2 — CID 64805114

IUPAC2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESNC(CO)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-14-4-7(12,3-13)6-1-2-6/h6,13H,1-5,12H2
InChIKeyJAEMYQZYMFHGAY-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.67
Rot. Bonds5

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

2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 64805114) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID64805114
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESNC(CO)(COCC(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)5-14-4-7(12,3-13)6-1-2-6/h6,13H,1-5,12H2
InChIKeyJAEMYQZYMFHGAY-UHFFFAOYSA-N
XLogP0.67
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-cyclopropyl-3,3,3-trifluoropropan-1-ol hydrochloride
CID 138987447
2-Amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
CID 66277704
2-Amino-2-cyclopropyl-3-(2,2-difluoroethoxy)propan-1-ol
CID 82009682
2-Amino-2-cyclopropyl-3-(4,4,4-trifluorobutoxy)propan-1-ol
CID 82795253
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-(4-methylpentoxy)propan-1-ol
CID 64803366
2-Amino-2-cyclopropyl-3-(cyclopropylmethoxy)propan-1-ol
CID 64803637
2-Amino-2-cyclopropyl-3-(2-methylpropoxy)propan-1-ol
CID 64804033
2-Amino-2-cyclopropyl-3-methoxypropan-1-ol
CID 64804292

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol (CID 64805114) is 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol is NC(CO)(COCC(F)(F)F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is JAEMYQZYMFHGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)5-14-4-7(12,3-13)6-1-2-6/h6,13H,1-5,12H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 213.20 g/mol, XLogP of 0.67, 5 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-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 64805114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).