3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol

C10H20F3NO2 — CID 106811572

IUPAC3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-9(15,7-14)5-4-6-16-8(2)10(11,12)13/h8,15H,3-7,14H2,1-2H3
InChIKeyMRVIFLJXTTUESG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds7

About 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol

3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol (PubChem CID 106811572) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
PubChem CID106811572
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
SMILESCCC(O)(CN)CCCOC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-9(15,7-14)5-4-6-16-8(2)10(11,12)13/h8,15H,3-7,14H2,1-2H3
InChIKeyMRVIFLJXTTUESG-UHFFFAOYSA-N
XLogP1.83
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
CID 66278597
3-(aminomethyl)-6-methoxyhexan-3-ol
CID 114852603
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
3-(aminomethyl)-6-[methyl(propan-2-yl)amino]hexan-3-ol
CID 106811374
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
3-(aminomethyl)-6-(2-methylbutylsulfanyl)hexan-3-ol
CID 107764964
3-(aminomethyl)-6-(2-methylpropylsulfanyl)hexan-3-ol
CID 106811645
2-ethyl-2-(propylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoic acid
CID 106807111
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
methyl 2-(ethylamino)-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66275923
3-(aminomethyl)-6-[ethyl(2-methylbutyl)amino]hexan-3-ol
CID 106811400

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol?
The IUPAC name of 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol (CID 106811572) is 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol.
What is the SMILES notation for 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol?
The canonical SMILES for 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol is CCC(O)(CN)CCCOC(C)C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol?
The InChIKey is MRVIFLJXTTUESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-3-9(15,7-14)5-4-6-16-8(2)10(11,12)13/h8,15H,3-7,14H2,1-2H3.
What are the key properties of 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol?
3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol has a molecular weight of 243.27 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol is sourced from PubChem (CID 106811572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).