N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine

C11H17F6N — CID 103311999

IUPACN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
SMILESC=CCCCC(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6N/c1-3-5-6-7-8(18-4-2)9(10(12,13)14)11(15,16)17/h3,8-9,18H,1,4-7H2,2H3
InChIKeyCARQUWOWZJPINT-UHFFFAOYSA-N
MW277.25 g/mol
LogP4.06
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine

N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine (PubChem CID 103311999) has the molecular formula C11H17F6N and a molecular weight of 277.25 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
PubChem CID103311999
Molecular FormulaC11H17F6N
Molecular Weight277.25 g/mol
Exact Mass277.13
IUPAC NameN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
SMILESC=CCCCC(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6N/c1-3-5-6-7-8(18-4-2)9(10(12,13)14)11(15,16)17/h3,8-9,18H,1,4-7H2,2H3
InChIKeyCARQUWOWZJPINT-UHFFFAOYSA-N
XLogP4.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine (CID 103311999) is N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine is C=CCCCC(NCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
The InChIKey is CARQUWOWZJPINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6N/c1-3-5-6-7-8(18-4-2)9(10(12,13)14)11(15,16)17/h3,8-9,18H,1,4-7H2,2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine has a molecular weight of 277.25 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine is sourced from PubChem (CID 103311999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).