5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine

C9H16F3NO — CID 103216261

IUPAC5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(N)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)3-4-8(13)5-14-6-9(10,11)12/h8H,1,3-6,13H2,2H3
InChIKeyUPQTVRJLOWXTLP-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.25
Rot. Bonds6

About 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine

5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine (PubChem CID 103216261) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine.

Molecular Properties

Compound Name5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
PubChem CID103216261
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
SMILESC=C(C)CCC(N)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)3-4-8(13)5-14-6-9(10,11)12/h8H,1,3-6,13H2,2H3
InChIKeyUPQTVRJLOWXTLP-UHFFFAOYSA-N
XLogP2.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103147962
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
N,5-dimethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-3-amine
CID 103148238
1-(2,2-Difluoroethoxy)-5-methylhex-5-en-3-amine
CID 103148814
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-amine
CID 103148956
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-amine
CID 103149006
1-(2,2-difluoroethoxy)-N,5-dimethylhex-5-en-3-amine
CID 103149149
1-(2,2,2-Trifluoroethoxy)hept-6-en-2-amine
CID 103215433
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215714
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215717
N-ethyl-4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215736

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
The IUPAC name of 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine (CID 103216261) is 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine.
What is the SMILES notation for 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
The canonical SMILES for 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine is C=C(C)CCC(N)COCC(F)(F)F.
What is the InChIKey of 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
The InChIKey is UPQTVRJLOWXTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)3-4-8(13)5-14-6-9(10,11)12/h8H,1,3-6,13H2,2H3.
What are the key properties of 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine?
5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine has a molecular weight of 211.23 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine is sourced from PubChem (CID 103216261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).