1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine

C5H11F2N3O — CID 104858992

IUPAC1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine
SMILESC/N=C(\N)NCC(F)(F)CO
InChIInChI=1S/C5H11F2N3O/c1-9-4(8)10-2-5(6,7)3-11/h11H,2-3H2,1H3,(H3,8,9,10)
InChIKeyNRZMYOUHUYRZBH-UHFFFAOYSA-N
MW167.16 g/mol
LogP-0.85
Rot. Bonds3

About 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine

1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine (PubChem CID 104858992) has the molecular formula C5H11F2N3O and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine
PubChem CID104858992
Molecular FormulaC5H11F2N3O
Molecular Weight167.16 g/mol
Exact Mass167.09
IUPAC Name1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine
SMILESC/N=C(\N)NCC(F)(F)CO
InChIInChI=1S/C5H11F2N3O/c1-9-4(8)10-2-5(6,7)3-11/h11H,2-3H2,1H3,(H3,8,9,10)
InChIKeyNRZMYOUHUYRZBH-UHFFFAOYSA-N
XLogP-0.85
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 5-0.85
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-Methyl-1-(3,3,3-trifluoro-2-hydroxypropyl)guanidine
CID 103635627
1-(3,3-Difluoro-2-hydroxypropyl)-2-methylguanidine
CID 103734425
2-(3,3-Difluoro-2-hydroxypropyl)-1-propylguanidine
CID 103734426
2-(3,3-Difluoro-2-hydroxypropyl)-1-ethylguanidine
CID 103734427
1-Cyclopropyl-2-(2,2-difluoro-3-hydroxypropyl)guanidine
CID 104858991
3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol
CID 104858993
2-(2,2-Difluoro-3-hydroxypropyl)-1-ethylguanidine
CID 104858996
2-(2,2-Difluoro-3-hydroxypropyl)-1-propylguanidine
CID 104858998
2-(2,2-Difluoro-3-hydroxypropyl)-1-(2-methylpropyl)guanidine
CID 104858999
2-(2,2-Difluoro-3-hydroxypropyl)-1-propan-2-ylguanidine
CID 104859001
1-Ethyl-2-(3-hydroxy-2,2-dimethylpropyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472758
1-Ethyl-2-(3-hydroxy-2,2-dimethylpropyl)-3-(3,3,3-trifluoropropyl)guanidine
CID 109472759

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine?
The IUPAC name of 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine (CID 104858992) is 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine.
What is the SMILES notation for 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine?
The canonical SMILES for 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine is C/N=C(\N)NCC(F)(F)CO.
What is the InChIKey of 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine?
The InChIKey is NRZMYOUHUYRZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N3O/c1-9-4(8)10-2-5(6,7)3-11/h11H,2-3H2,1H3,(H3,8,9,10).
What are the key properties of 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine?
1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine has a molecular weight of 167.16 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-3-hydroxypropyl)-2-methylguanidine is sourced from PubChem (CID 104858992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).