N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine

C12H24F3NO — CID 116720311

IUPACN-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine
SMILESCCNC(CCCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C12H24F3NO/c1-5-16-10(11(17-4)9(2)3)7-6-8-12(13,14)15/h9-11,16H,5-8H2,1-4H3
InChIKeyMIHZJNSQZFFVRM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.37
Rot. Bonds8

About N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine

N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine (PubChem CID 116720311) has the molecular formula C12H24F3NO and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine.

Molecular Properties

Compound NameN-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine
PubChem CID116720311
Molecular FormulaC12H24F3NO
Molecular Weight255.32 g/mol
Exact Mass255.18
IUPAC NameN-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine
SMILESCCNC(CCCC(F)(F)F)C(OC)C(C)C
InChIInChI=1S/C12H24F3NO/c1-5-16-10(11(17-4)9(2)3)7-6-8-12(13,14)15/h9-11,16H,5-8H2,1-4H3
InChIKeyMIHZJNSQZFFVRM-UHFFFAOYSA-N
XLogP3.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Launch Full Analysis

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 N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine?
The IUPAC name of N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine (CID 116720311) is N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine.
What is the SMILES notation for N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine?
The canonical SMILES for N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine is CCNC(CCCC(F)(F)F)C(OC)C(C)C.
What is the InChIKey of N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine?
The InChIKey is MIHZJNSQZFFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3NO/c1-5-16-10(11(17-4)9(2)3)7-6-8-12(13,14)15/h9-11,16H,5-8H2,1-4H3.
What are the key properties of N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine?
N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine has a molecular weight of 255.32 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8,8,8-trifluoro-3-methoxy-2-methyloctan-4-amine is sourced from PubChem (CID 116720311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).