1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol

C9H18F3NO — CID 116536400

IUPAC1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol
SMILESCC(CN)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(6-13)8(2,14)4-3-5-9(10,11)12/h7,14H,3-6,13H2,1-2H3
InChIKeyOKDJPMRDFQFHJQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.06
Rot. Bonds5

About 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol

1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol (PubChem CID 116536400) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol.

Molecular Properties

Compound Name1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol
PubChem CID116536400
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol
SMILESCC(CN)C(C)(O)CCCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(6-13)8(2,14)4-3-5-9(10,11)12/h7,14H,3-6,13H2,1-2H3
InChIKeyOKDJPMRDFQFHJQ-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol?
The IUPAC name of 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol (CID 116536400) is 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol.
What is the SMILES notation for 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol?
The canonical SMILES for 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol is CC(CN)C(C)(O)CCCC(F)(F)F.
What is the InChIKey of 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol?
The InChIKey is OKDJPMRDFQFHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(6-13)8(2,14)4-3-5-9(10,11)12/h7,14H,3-6,13H2,1-2H3.
What are the key properties of 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol?
1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol has a molecular weight of 213.24 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-7,7,7-trifluoro-2,3-dimethylheptan-3-ol is sourced from PubChem (CID 116536400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).