2-fluoro-2-(methylaminomethyl)propane-1,3-diol

C5H12FNO2 — CID 174206195

IUPAC2-fluoro-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(F)(CO)CO
InChIInChI=1S/C5H12FNO2/c1-7-2-5(6,3-8)4-9/h7-9H,2-4H2,1H3
InChIKeyVKQFRDXVUNMWLL-UHFFFAOYSA-N
MW137.15 g/mol
LogP-1.10
Rot. Bonds4

About 2-fluoro-2-(methylaminomethyl)propane-1,3-diol

2-fluoro-2-(methylaminomethyl)propane-1,3-diol (PubChem CID 174206195) has the molecular formula C5H12FNO2 and a molecular weight of 137.15 g/mol. Its IUPAC name is 2-fluoro-2-(methylaminomethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-fluoro-2-(methylaminomethyl)propane-1,3-diol
PubChem CID174206195
Molecular FormulaC5H12FNO2
Molecular Weight137.15 g/mol
Exact Mass137.09
IUPAC Name2-fluoro-2-(methylaminomethyl)propane-1,3-diol
SMILESCNCC(F)(CO)CO
InChIInChI=1S/C5H12FNO2/c1-7-2-5(6,3-8)4-9/h7-9H,2-4H2,1H3
InChIKeyVKQFRDXVUNMWLL-UHFFFAOYSA-N
XLogP-1.10
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethyl-3-(methylamino)-1-propanol
CID 14421786
2-Methyl-2-[(methylamino)methyl]propane-1,3-diol
CID 15348371
2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
2-Fluoro-3-(methylamino)propan-1-ol
CID 55299470
(2R)-2-fluoro-3-(methylamino)propan-1-ol
CID 89697654
3-(Ethylamino)-2-fluoropropan-1-ol
CID 142802117
2-Fluoro-3-(2-methylpropylamino)propan-1-ol
CID 153551548
2-Fluoro-2-methyl-3-(methylamino)propan-1-ol
CID 156187848
2-Methyl-2-[(trifluoromethylamino)methyl]propane-1,3-diol
CID 170288661
3-(2-Fluoroethylamino)-2-methylpropan-1-ol
CID 80697403
3-(3-Fluoropropylamino)-2-methylpropan-1-ol
CID 81107074
2,2-Dimethyl-3-(2,2,2-trifluoroethylamino)propan-1-ol
CID 81414497

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(methylaminomethyl)propane-1,3-diol?
The IUPAC name of 2-fluoro-2-(methylaminomethyl)propane-1,3-diol (CID 174206195) is 2-fluoro-2-(methylaminomethyl)propane-1,3-diol.
What is the SMILES notation for 2-fluoro-2-(methylaminomethyl)propane-1,3-diol?
The canonical SMILES for 2-fluoro-2-(methylaminomethyl)propane-1,3-diol is CNCC(F)(CO)CO.
What is the InChIKey of 2-fluoro-2-(methylaminomethyl)propane-1,3-diol?
The InChIKey is VKQFRDXVUNMWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2/c1-7-2-5(6,3-8)4-9/h7-9H,2-4H2,1H3.
What are the key properties of 2-fluoro-2-(methylaminomethyl)propane-1,3-diol?
2-fluoro-2-(methylaminomethyl)propane-1,3-diol has a molecular weight of 137.15 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(methylaminomethyl)propane-1,3-diol is sourced from PubChem (CID 174206195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).