(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine

C8H16F3NO — CID 177282058

IUPAC(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)5-7(12)3-4-13-8(9,10)11/h6-7H,3-5,12H2,1-2H3/t7-/m0/s1
InChIKeyHAVSHPRKUQIFLW-ZETCQYMHSA-N
MW199.22 g/mol
LogP2.29
Rot. Bonds5

About (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine

(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine (PubChem CID 177282058) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine.

Molecular Properties

Compound Name(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
PubChem CID177282058
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine
SMILESCC(C)C[C@@H](N)CCOC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)5-7(12)3-4-13-8(9,10)11/h6-7H,3-5,12H2,1-2H3/t7-/m0/s1
InChIKeyHAVSHPRKUQIFLW-ZETCQYMHSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine?
The IUPAC name of (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine (CID 177282058) is (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine.
What is the SMILES notation for (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine?
The canonical SMILES for (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine is CC(C)C[C@@H](N)CCOC(F)(F)F.
What is the InChIKey of (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine?
The InChIKey is HAVSHPRKUQIFLW-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)5-7(12)3-4-13-8(9,10)11/h6-7H,3-5,12H2,1-2H3/t7-/m0/s1.
What are the key properties of (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine?
(3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-methyl-1-(trifluoromethoxy)hexan-3-amine is sourced from PubChem (CID 177282058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).