6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine

C9H18F3NO — CID 79197558

IUPAC6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
SMILESCNC(CCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C9H18F3NO/c1-8(2,14-4)7(13-3)5-6-9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyKXAPRANQTUQMQQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds5

About 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine

6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine (PubChem CID 79197558) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
PubChem CID79197558
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
SMILESCNC(CCC(F)(F)F)C(C)(C)OC
InChIInChI=1S/C9H18F3NO/c1-8(2,14-4)7(13-3)5-6-9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyKXAPRANQTUQMQQ-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine (CID 79197558) is 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine is CNC(CCC(F)(F)F)C(C)(C)OC.
What is the InChIKey of 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine?
The InChIKey is KXAPRANQTUQMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2,14-4)7(13-3)5-6-9(10,11)12/h7,13H,5-6H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine?
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine is sourced from PubChem (CID 79197558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).