3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine

C10H16F3NO — CID 91441153

IUPAC3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine
SMILESC=CC(=CCCOCC(F)(F)F)C(C)N
InChIInChI=1S/C10H16F3NO/c1-3-9(8(2)14)5-4-6-15-7-10(11,12)13/h3,5,8H,1,4,6-7,14H2,2H3
InChIKeyBAAJNUXUPCRTGA-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.41
Rot. Bonds6

About 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine

3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine (PubChem CID 91441153) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine.

Molecular Properties

Compound Name3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine
PubChem CID91441153
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine
SMILESC=CC(=CCCOCC(F)(F)F)C(C)N
InChIInChI=1S/C10H16F3NO/c1-3-9(8(2)14)5-4-6-15-7-10(11,12)13/h3,5,8H,1,4,6-7,14H2,2H3
InChIKeyBAAJNUXUPCRTGA-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
1-[4-(2,2-Difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 87688738
(3E)-5-(2,2-difluoropropoxy)-3-(2-methylprop-1-enyl)hepta-3,5,6-trien-2-amine
CID 124095375
(E)-4-methyl-1-(2,2,2-trifluoroethoxy)hex-3-ene-1,5-diamine
CID 146537669
(Z)-6-(2,2-difluoroethoxy)hept-3-ene-2,6-diamine
CID 167237775
5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148083
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-amine
CID 103148966
4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-amine
CID 103215721
4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-amine
CID 103474998
1-[4-(2,2,2-Trifluoroethoxy)cyclohepta-1,4,6-trien-1-yl]ethanamine
CID 162566108
ethene;(E,2S)-3-ethenyl-1-methoxypent-3-en-2-amine
CID 144633616

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine?
The IUPAC name of 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine (CID 91441153) is 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine.
What is the SMILES notation for 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine?
The canonical SMILES for 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine is C=CC(=CCCOCC(F)(F)F)C(C)N.
What is the InChIKey of 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine?
The InChIKey is BAAJNUXUPCRTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-3-9(8(2)14)5-4-6-15-7-10(11,12)13/h3,5,8H,1,4,6-7,14H2,2H3.
What are the key properties of 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine?
3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine has a molecular weight of 223.24 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-6-(2,2,2-trifluoroethoxy)hex-3-en-2-amine is sourced from PubChem (CID 91441153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).