1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol

C10H20F3NO2 — CID 66278597

IUPAC1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
SMILESCC(OCCCCC(C)(O)CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(10(11,12)13)16-6-4-3-5-9(2,15)7-14/h8,15H,3-7,14H2,1-2H3
InChIKeyJTTMXNZXIBNWSW-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.83
Rot. Bonds7

About 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol

1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol (PubChem CID 66278597) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol.

Molecular Properties

Compound Name1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
PubChem CID66278597
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol
SMILESCC(OCCCCC(C)(O)CN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-8(10(11,12)13)16-6-4-3-5-9(2,15)7-14/h8,15H,3-7,14H2,1-2H3
InChIKeyJTTMXNZXIBNWSW-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

3-(aminomethyl)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-3-ol
CID 106811572
2-methyl-2-(methylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66275331
2-amino-2-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanamide
CID 66274633
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
CID 66275068
1-amino-6-(2-ethoxyethoxy)-2-methylhexan-2-ol
CID 64814822
1-amino-6-[2-methoxyethyl(pentan-3-yl)amino]-2-methylhexan-2-ol
CID 64820477
1-amino-5-(2,2-difluoroethoxy)-2-methylpentan-2-ol
CID 82009085
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
1-amino-6-(3,5-dimethylphenoxy)-2-methylhexan-2-ol
CID 64813377
1-amino-6-cyclohexyloxy-2-methylhexan-2-ol
CID 64812320
1-amino-2-methyl-5-[2-methylpropyl(pentan-3-yl)amino]pentan-2-ol
CID 79490065
1-amino-6-[ethyl(propan-2-yl)amino]-2-methylhexan-2-ol
CID 64820439

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol?
The IUPAC name of 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol (CID 66278597) is 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol.
What is the SMILES notation for 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol?
The canonical SMILES for 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol is CC(OCCCCC(C)(O)CN)C(F)(F)F.
What is the InChIKey of 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol?
The InChIKey is JTTMXNZXIBNWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-8(10(11,12)13)16-6-4-3-5-9(2,15)7-14/h8,15H,3-7,14H2,1-2H3.
What are the key properties of 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol?
1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-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 1-amino-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-2-ol is sourced from PubChem (CID 66278597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).