N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine

C9H18F3NO — CID 79615869

IUPACN-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine
SMILESCCNC(CCC(F)(F)F)C(C)OC
InChIInChI=1S/C9H18F3NO/c1-4-13-8(7(2)14-3)5-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyMXQNVJBSCLOGGB-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds6

About N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine

N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine (PubChem CID 79615869) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine
PubChem CID79615869
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine
SMILESCCNC(CCC(F)(F)F)C(C)OC
InChIInChI=1S/C9H18F3NO/c1-4-13-8(7(2)14-3)5-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyMXQNVJBSCLOGGB-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine?
The IUPAC name of N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine (CID 79615869) is N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine.
What is the SMILES notation for N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine?
The canonical SMILES for N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine is CCNC(CCC(F)(F)F)C(C)OC.
What is the InChIKey of N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine?
The InChIKey is MXQNVJBSCLOGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-4-13-8(7(2)14-3)5-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine?
N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6,6-trifluoro-2-methoxyhexan-3-amine is sourced from PubChem (CID 79615869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).