N-ethyl-6,6,6-trifluorohex-1-en-3-amine

C8H14F3N — CID 79954785

IUPACN-ethyl-6,6,6-trifluorohex-1-en-3-amine
SMILESC=CC(CCC(F)(F)F)NCC
InChIInChI=1S/C8H14F3N/c1-3-7(12-4-2)5-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyHOCRKXRIFQYSLB-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.49
Rot. Bonds5

About N-ethyl-6,6,6-trifluorohex-1-en-3-amine

N-ethyl-6,6,6-trifluorohex-1-en-3-amine (PubChem CID 79954785) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is N-ethyl-6,6,6-trifluorohex-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-6,6,6-trifluorohex-1-en-3-amine
PubChem CID79954785
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC NameN-ethyl-6,6,6-trifluorohex-1-en-3-amine
SMILESC=CC(CCC(F)(F)F)NCC
InChIInChI=1S/C8H14F3N/c1-3-7(12-4-2)5-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3
InChIKeyHOCRKXRIFQYSLB-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Allyl-(1-methyl-pent-4-enyl)-amine
CID 11788335
2-Propylamino-5-hexene
CID 12541939
1,1,1-trifluoro-N-methylbut-3-en-2-amine
CID 55283620
N-(2,2,2-trifluoroethyl)but-3-en-2-amine
CID 116145945
1,1,1-trifluoro-N-methyloct-5-en-2-amine
CID 123342851
(Z)-1,1,1-trifluoro-N-propan-2-yloct-5-en-2-amine
CID 132061416
Ethane;2-ethenyl-4,4-difluoropyrrolidine
CID 142393652
(Z)-1,1,1-trifluoro-N-methyloct-5-en-2-amine
CID 144233742
(E)-1,1,1-trifluoro-N-methyloct-5-en-2-amine
CID 144233829
(E)-7,7-difluoro-2-methylidene-N-propan-2-yloct-5-en-1-amine
CID 145011962
(E)-N-(1,1,1-trifluoropropan-2-yl)hept-4-en-1-amine
CID 155032205
(2S)-1,1,1-trifluoro-N-methylbut-3-en-2-amine
CID 156215253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,6,6-trifluorohex-1-en-3-amine?
The IUPAC name of N-ethyl-6,6,6-trifluorohex-1-en-3-amine (CID 79954785) is N-ethyl-6,6,6-trifluorohex-1-en-3-amine.
What is the SMILES notation for N-ethyl-6,6,6-trifluorohex-1-en-3-amine?
The canonical SMILES for N-ethyl-6,6,6-trifluorohex-1-en-3-amine is C=CC(CCC(F)(F)F)NCC.
What is the InChIKey of N-ethyl-6,6,6-trifluorohex-1-en-3-amine?
The InChIKey is HOCRKXRIFQYSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-3-7(12-4-2)5-6-8(9,10)11/h3,7,12H,1,4-6H2,2H3.
What are the key properties of N-ethyl-6,6,6-trifluorohex-1-en-3-amine?
N-ethyl-6,6,6-trifluorohex-1-en-3-amine has a molecular weight of 181.20 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,6,6-trifluorohex-1-en-3-amine is sourced from PubChem (CID 79954785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).