6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine

C8H16F3NO — CID 79197424

IUPAC6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
SMILESCOC(C)(C)C(N)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13-3)6(12)4-5-8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyBOGZGFAILWAGSJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP2.08
Rot. Bonds4

About 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine

6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine (PubChem CID 79197424) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
PubChem CID79197424
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
SMILESCOC(C)(C)C(N)CCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(2,13-3)6(12)4-5-8(9,10)11/h6H,4-5,12H2,1-3H3
InChIKeyBOGZGFAILWAGSJ-UHFFFAOYSA-N
XLogP2.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-Dimethyl-4-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61634119
4,4,4-Trifluoro-3-(4-methylpentoxy)butan-2-amine
CID 61647951
1,1,1-Trifluoro-2-(4-methylpentoxy)pentan-3-amine
CID 61648004
5,5-Dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)hexan-3-amine
CID 66276061
6,6,6-trifluoro-2-methoxy-N,2-dimethylhexan-3-amine
CID 79197558
6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
CID 79197939
N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79198505
4-(2,2-Difluoroethoxy)-5,5-dimethylhexan-3-amine
CID 82004616
5,5-Dimethyl-4-(4,4,4-trifluorobutoxy)hexan-3-amine
CID 82788337
5,5-Dimethyl-4-(3,3,3-trifluoropropoxy)hexan-3-amine
CID 82954587
1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
1,1,1-Trifluoro-5-methoxy-5-methylhexan-2-amine
CID 103031627

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine (CID 79197424) is 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine is COC(C)(C)C(N)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
The InChIKey is BOGZGFAILWAGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(2,13-3)6(12)4-5-8(9,10)11/h6H,4-5,12H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine?
6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 2.08, 4 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-2-methylhexan-3-amine is sourced from PubChem (CID 79197424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).