3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol

C7H15F2NO — CID 107443286

IUPAC3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol
SMILESCC(C)C(CN)C(O)C(F)F
InChIInChI=1S/C7H15F2NO/c1-4(2)5(3-10)6(11)7(8)9/h4-7,11H,3,10H2,1-2H3
InChIKeyNVJFNPMXSCBJIH-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.84
Rot. Bonds4

About 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol

3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol (PubChem CID 107443286) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol
PubChem CID107443286
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol
SMILESCC(C)C(CN)C(O)C(F)F
InChIInChI=1S/C7H15F2NO/c1-4(2)5(3-10)6(11)7(8)9/h4-7,11H,3,10H2,1-2H3
InChIKeyNVJFNPMXSCBJIH-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol (CID 107443286) is 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol is CC(C)C(CN)C(O)C(F)F.
What is the InChIKey of 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol?
The InChIKey is NVJFNPMXSCBJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-4(2)5(3-10)6(11)7(8)9/h4-7,11H,3,10H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol?
3-(aminomethyl)-1,1-difluoro-4-methylpentan-2-ol has a molecular weight of 167.20 g/mol, XLogP of 0.84, 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-difluoro-4-methylpentan-2-ol is sourced from PubChem (CID 107443286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).