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

C10H20F3NO — CID 79617329

IUPAC6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)OC
InChIInChI=1S/C10H20F3NO/c1-4-7-14-9(8(2)15-3)5-6-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyLIQIUELKQFNLEP-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

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

6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine (PubChem CID 79617329) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine
PubChem CID79617329
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine
SMILESCCCNC(CCC(F)(F)F)C(C)OC
InChIInChI=1S/C10H20F3NO/c1-4-7-14-9(8(2)15-3)5-6-10(11,12)13/h8-9,14H,4-7H2,1-3H3
InChIKeyLIQIUELKQFNLEP-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

trans-N1-((R)-3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937257
4-N-(3,3,3-trifluoro-2-methoxypropyl)cyclohexane-1,4-diamine
CID 66937259
N-methyl-2-(4,4,4-trifluorobutoxy)butan-1-amine
CID 82792420
4,4-difluoro-2-methoxy-N-methylcyclohexan-1-amine
CID 90260558
2-(4,4-difluoropentoxy)-N-methylpropan-1-amine
CID 91242229
1,1,2-trifluoro-1-propoxy-N-propylpentan-2-amine
CID 141198660
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484
4,4-difluoro-N-(2-methoxyethyl)cyclohexan-1-amine
CID 146310597
4-fluoro-1-methoxy-N-methylpentan-2-amine
CID 168881193
(3S)-N-(6,6,6-trifluorohexan-2-yl)oxan-3-amine
CID 169190965
4,4-difluoro-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
CID 171415811
cis-(1S,2R)-2-(difluoromethoxy)-N-propan-2-ylcyclopentan-1-amine
CID 172108676

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine (CID 79617329) is 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine is CCCNC(CCC(F)(F)F)C(C)OC.
What is the InChIKey of 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine?
The InChIKey is LIQIUELKQFNLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-7-14-9(8(2)15-3)5-6-10(11,12)13/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine?
6,6,6-trifluoro-2-methoxy-N-propylhexan-3-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 7 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-propylhexan-3-amine is sourced from PubChem (CID 79617329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).