1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol

C12H13F4NO2 — CID 103289374

IUPAC1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
SMILESOC(CNC1CC1)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H13F4NO2/c13-8-3-9(14)11(16)12(10(8)15)19-5-7(18)4-17-6-1-2-6/h3,6-7,17-18H,1-2,4-5H2
InChIKeyDJDMXTUFDVXIBM-UHFFFAOYSA-N
MW279.23 g/mol
LogP1.73
Rot. Bonds6

About 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol

1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol (PubChem CID 103289374) has the molecular formula C12H13F4NO2 and a molecular weight of 279.23 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
PubChem CID103289374
Molecular FormulaC12H13F4NO2
Molecular Weight279.23 g/mol
Exact Mass279.09
IUPAC Name1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol
SMILESOC(CNC1CC1)COc1c(F)c(F)cc(F)c1F
InChIInChI=1S/C12H13F4NO2/c13-8-3-9(14)11(16)12(10(8)15)19-5-7(18)4-17-6-1-2-6/h3,6-7,17-18H,1-2,4-5H2
InChIKeyDJDMXTUFDVXIBM-UHFFFAOYSA-N
XLogP1.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chloro-6-fluorophenoxy)-3-(cyclopropylamino)propan-2-ol
CID 83050665
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
1-(2,3,5,6-tetrafluorophenoxy)butan-2-ol
CID 103289730
1-(cyclopropylamino)-3-(2,6-dimethylphenoxy)propan-2-ol
CID 43090638
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
(2S)-1-(4-fluorophenoxy)-3-(oxan-4-ylamino)propan-2-ol
CID 93386645
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-(cyclopentylamino)-3-(3,4,5-trimethoxyphenoxy)propan-2-ol
CID 110181265
1-cyclopentyl-2-(2,3,5,6-tetrafluorophenoxy)ethanamine
CID 103289339
1-(cyclopropylamino)-3-(2,5-dibromo-4-methoxyphenoxy)propan-2-ol
CID 79415250
1-(cyclopentylamino)-3-(3,4-dimethylphenoxy)propan-2-ol
CID 2967956
1-(4-chloro-3,5-dimethylphenoxy)-3-(cyclopentylamino)propan-2-ol
CID 18838026

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol (CID 103289374) is 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol is OC(CNC1CC1)COc1c(F)c(F)cc(F)c1F.
What is the InChIKey of 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol?
The InChIKey is DJDMXTUFDVXIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO2/c13-8-3-9(14)11(16)12(10(8)15)19-5-7(18)4-17-6-1-2-6/h3,6-7,17-18H,1-2,4-5H2.
What are the key properties of 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol?
1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol has a molecular weight of 279.23 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-(2,3,5,6-tetrafluorophenoxy)propan-2-ol is sourced from PubChem (CID 103289374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).