8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine

C13H26F3NO — CID 116720594

IUPAC8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C13H26F3NO/c1-5-9-17-11(12(18-4)10(2)3)7-6-8-13(14,15)16/h10-12,17H,5-9H2,1-4H3
InChIKeyGEUHHHNSBCHACA-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds9

About 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine

8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine (PubChem CID 116720594) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine.

Molecular Properties

Compound Name8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine
PubChem CID116720594
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine
SMILESCCCNC(CCCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C13H26F3NO/c1-5-9-17-11(12(18-4)10(2)3)7-6-8-13(14,15)16/h10-12,17H,5-9H2,1-4H3
InChIKeyGEUHHHNSBCHACA-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-butyl-5,5-difluoro-6-methoxy-4,7-dimethyloctan-1-amine
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2-Tert-butyl-5-(trifluoromethoxy)piperidine
CID 155003843
4-(Difluoromethoxy)-2-propan-2-ylpiperidine
CID 170772139
3,3-Difluoro-6-(methoxymethyl)-2-propan-2-ylpiperidine;molecular hydrogen
CID 171531442
(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
2-Tert-butyl-5-(difluoromethoxy)piperidine
CID 176832733
2-Tert-butyl-3-methoxy-5-(trifluoromethyl)piperidine
CID 176833257
2-methoxy-N-[4-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 43788025
N-(2-methoxycyclohexyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43788073
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CID 43791411

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine?
The IUPAC name of 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine (CID 116720594) is 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine.
What is the SMILES notation for 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine?
The canonical SMILES for 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine is CCCNC(CCCC(F)(F)F)C(OC)C(C)C.
What is the InChIKey of 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine?
The InChIKey is GEUHHHNSBCHACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-9-17-11(12(18-4)10(2)3)7-6-8-13(14,15)16/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine?
8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3-methoxy-2-methyl-N-propyloctan-4-amine is sourced from PubChem (CID 116720594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).