3-(aminomethyl)-1,1-difluoropentan-2-ol

C6H13F2NO — CID 143016309

IUPAC3-(aminomethyl)-1,1-difluoropentan-2-ol
SMILESCCC(CN)C(O)C(F)F
InChIInChI=1S/C6H13F2NO/c1-2-4(3-9)5(10)6(7)8/h4-6,10H,2-3,9H2,1H3
InChIKeyWNXGSJSVTHRUAY-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.60
Rot. Bonds4

About 3-(aminomethyl)-1,1-difluoropentan-2-ol

3-(aminomethyl)-1,1-difluoropentan-2-ol (PubChem CID 143016309) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 3-(aminomethyl)-1,1-difluoropentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1,1-difluoropentan-2-ol
PubChem CID143016309
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name3-(aminomethyl)-1,1-difluoropentan-2-ol
SMILESCCC(CN)C(O)C(F)F
InChIInChI=1S/C6H13F2NO/c1-2-4(3-9)5(10)6(7)8/h4-6,10H,2-3,9H2,1H3
InChIKeyWNXGSJSVTHRUAY-UHFFFAOYSA-N
XLogP0.60
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,1-difluoropentan-2-ol?
The IUPAC name of 3-(aminomethyl)-1,1-difluoropentan-2-ol (CID 143016309) is 3-(aminomethyl)-1,1-difluoropentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-1,1-difluoropentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-1,1-difluoropentan-2-ol is CCC(CN)C(O)C(F)F.
What is the InChIKey of 3-(aminomethyl)-1,1-difluoropentan-2-ol?
The InChIKey is WNXGSJSVTHRUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-2-4(3-9)5(10)6(7)8/h4-6,10H,2-3,9H2,1H3.
What are the key properties of 3-(aminomethyl)-1,1-difluoropentan-2-ol?
3-(aminomethyl)-1,1-difluoropentan-2-ol has a molecular weight of 153.17 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,1-difluoropentan-2-ol is sourced from PubChem (CID 143016309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).