4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol

C8H16F3NO — CID 165448251

IUPAC4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol
SMILESCCC(C)(CN)C(O)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(2,5-12)6(13)4-8(9,10)11/h6,13H,3-5,12H2,1-2H3
InChIKeyPCZQXMXQEQGBPI-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.67
Rot. Bonds4

About 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol

4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol (PubChem CID 165448251) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol
PubChem CID165448251
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol
SMILESCCC(C)(CN)C(O)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-3-7(2,5-12)6(13)4-8(9,10)11/h6,13H,3-5,12H2,1-2H3
InChIKeyPCZQXMXQEQGBPI-UHFFFAOYSA-N
XLogP1.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol?
The IUPAC name of 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol (CID 165448251) is 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol.
What is the SMILES notation for 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol?
The canonical SMILES for 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol is CCC(C)(CN)C(O)CC(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol?
The InChIKey is PCZQXMXQEQGBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-3-7(2,5-12)6(13)4-8(9,10)11/h6,13H,3-5,12H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol?
4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol has a molecular weight of 199.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,1,1-trifluoro-4-methylhexan-3-ol is sourced from PubChem (CID 165448251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).