3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol

C7H15F2NO — CID 130514833

IUPAC3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol
SMILESCC(O)C(C)(CN)CC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(11)7(2,4-10)3-6(8)9/h5-6,11H,3-4,10H2,1-2H3
InChIKeyVRMJFPFPUTZDCQ-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.99
Rot. Bonds4

About 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol

3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol (PubChem CID 130514833) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol
PubChem CID130514833
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol
SMILESCC(O)C(C)(CN)CC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(11)7(2,4-10)3-6(8)9/h5-6,11H,3-4,10H2,1-2H3
InChIKeyVRMJFPFPUTZDCQ-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(aminomethyl)-5,5-difluoro-3-methylpentan-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

3-(Aminomethyl)-3-methylpentan-2-ol
CID 65394245
3-(Aminomethyl)-1,1-difluoropentan-2-ol
CID 143016309
2-(Aminomethyl)-2-ethyl-4,4,4-trifluorobutan-1-ol
CID 154968326
3-(Aminomethyl)-1,1,1-trifluoropentan-2-ol
CID 54267698
3-(Aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 65185698
1-Amino-2,2-difluoro-4,4-dimethylpentan-3-ol
CID 105433378
3-(Aminomethyl)-1,1-difluoro-4-methylpentan-2-ol
CID 107443286
3-(Aminomethyl)-5-fluoro-3-methylpentan-2-ol
CID 126977387
4-(Aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol
CID 165448251
2-(Aminomethyl)-3,3-difluoro-2-methylbutan-1-ol
CID 165631801
2-(Aminomethyl)-3,3,4,4-tetrafluoro-2-methylbutan-1-ol
CID 165633007
2-(Aminomethyl)-3,4,4,4-tetrafluoro-2-methylbutan-1-ol
CID 165754329

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol (CID 130514833) is 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol is CC(O)C(C)(CN)CC(F)F.
What is the InChIKey of 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol?
The InChIKey is VRMJFPFPUTZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(11)7(2,4-10)3-6(8)9/h5-6,11H,3-4,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol?
3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol has a molecular weight of 167.20 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5,5-difluoro-3-methylpentan-2-ol is sourced from PubChem (CID 130514833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).