2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine

C7H15F2N3O — CID 104859001

IUPAC2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(F)(F)CO
InChIInChI=1S/C7H15F2N3O/c1-5(2)12-6(10)11-3-7(8,9)4-13/h5,13H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyYOUIQWBWCCWYHX-UHFFFAOYSA-N
MW195.21 g/mol
LogP-0.07
Rot. Bonds4

About 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine

2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine (PubChem CID 104859001) has the molecular formula C7H15F2N3O and a molecular weight of 195.21 g/mol. Its IUPAC name is 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine.

Molecular Properties

Compound Name2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine
PubChem CID104859001
Molecular FormulaC7H15F2N3O
Molecular Weight195.21 g/mol
Exact Mass195.12
IUPAC Name2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine
SMILESCC(C)N/C(N)=N/CC(F)(F)CO
InChIInChI=1S/C7H15F2N3O/c1-5(2)12-6(10)11-3-7(8,9)4-13/h5,13H,3-4H2,1-2H3,(H3,10,11,12)
InChIKeyYOUIQWBWCCWYHX-UHFFFAOYSA-N
XLogP-0.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-Difluoro-2-hydroxypropyl)-1-propan-2-ylguanidine
CID 103734422
2-(3,3-Difluoro-2-hydroxypropyl)-1-ethylguanidine
CID 103734427
1-Cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 104858991
1-(2,2-Difluoro-3-hydroxypropyl)-2-methylguanidine
CID 104858992
2-(2,2-Difluoro-3-hydroxypropyl)-1-ethylguanidine
CID 104858996
1-Tert-butyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 104858997
2-(2,2-Difluoro-3-hydroxypropyl)-1-propylguanidine
CID 104858998
2-(2,2-Difluoro-3-hydroxypropyl)-1-(2-methylpropyl)guanidine
CID 104858999
1-Cyclobutyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 122095385
2,2-Difluoro-3-(1,4,5,6-tetrahydropyrimidin-2-ylamino)propan-1-ol
CID 130914663
1-(3-Hydroxypropyl)-2-methylguanidine
CID 23103990
1-(1-Hydroxypropan-2-yl)-2-methylguanidine
CID 62359529

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine?
The IUPAC name of 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine (CID 104859001) is 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine.
What is the SMILES notation for 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine?
The canonical SMILES for 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine is CC(C)N/C(N)=N/CC(F)(F)CO.
What is the InChIKey of 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine?
The InChIKey is YOUIQWBWCCWYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2N3O/c1-5(2)12-6(10)11-3-7(8,9)4-13/h5,13H,3-4H2,1-2H3,(H3,10,11,12).
What are the key properties of 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine?
2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine has a molecular weight of 195.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine is sourced from PubChem (CID 104859001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).