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

C9H16F3NO2 — CID 114358371

IUPAC3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)3-4-15-7(5-14)8(13)6-1-2-6/h6-8,14H,1-5,13H2
InChIKeyPZLQJWYNFUGHQT-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.05
Rot. Bonds6

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

3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol (PubChem CID 114358371) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol
PubChem CID114358371
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)3-4-15-7(5-14)8(13)6-1-2-6/h6-8,14H,1-5,13H2
InChIKeyPZLQJWYNFUGHQT-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol (CID 114358371) is 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol is NC(C1CC1)C(CO)OCCC(F)(F)F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol?
The InChIKey is PZLQJWYNFUGHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)3-4-15-7(5-14)8(13)6-1-2-6/h6-8,14H,1-5,13H2.
What are the key properties of 3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(3,3,3-trifluoropropoxy)propan-1-ol has a molecular weight of 227.23 g/mol, XLogP of 1.05, 6 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-(3,3,3-trifluoropropoxy)propan-1-ol is sourced from PubChem (CID 114358371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).