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

C7H14F3NO — CID 65185698

IUPAC3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)C(CN)C(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-4(2)5(3-11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3
InChIKeyQNWQQMRSZALXQS-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.14
Rot. Bonds3

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

3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 65185698) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID65185698
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)C(CN)C(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-4(2)5(3-11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3
InChIKeyQNWQQMRSZALXQS-UHFFFAOYSA-N
XLogP1.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol (CID 65185698) is 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)C(CN)C(O)C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is QNWQQMRSZALXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-4(2)5(3-11)6(12)7(8,9)10/h4-6,12H,3,11H2,1-2H3.
What are the key properties of 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol?
3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol has a molecular weight of 185.19 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 65185698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).