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

C9H13F6N — CID 103311997

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
SMILESC=CCCCC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-2-3-4-5-6(16)7(8(10,11)12)9(13,14)15/h2,6-7H,1,3-5,16H2
InChIKeyXEKGLUNKNDFSRA-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.41
Rot. Bonds5

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

1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine (PubChem CID 103311997) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
PubChem CID103311997
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
SMILESC=CCCCC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-2-3-4-5-6(16)7(8(10,11)12)9(13,14)15/h2,6-7H,1,3-5,16H2
InChIKeyXEKGLUNKNDFSRA-UHFFFAOYSA-N
XLogP3.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.41
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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Related Compounds

4-(Trifluoromethyl)hept-6-en-1-amine
CID 89153956
1-(3,3-Difluorocyclohexyl)prop-2-en-1-amine
CID 130484909
1-(3,3-Difluorocyclobutyl)but-3-en-1-amine
CID 130907354
Ethane;7,7,7-trifluoro-3-methylhept-1-en-4-amine
CID 163278944
7,7,7-Trifluoro-3-methylhept-1-en-4-amine
CID 163278945
(2R)-1,1,1-trifluoro-2-methyloct-7-en-4-amine
CID 174025767
1,1,1-Trifluorooct-7-en-3-amine
CID 64299991
1,1,1-Trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311756
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311998
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311999
1,1,1-Trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312000
1,1,1-Trifluoro-5-methylidene-2-(trifluoromethyl)heptan-3-amine
CID 103312113

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine (CID 103311997) is 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine is C=CCCCC(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
The InChIKey is XEKGLUNKNDFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-2-3-4-5-6(16)7(8(10,11)12)9(13,14)15/h2,6-7H,1,3-5,16H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine?
1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine has a molecular weight of 249.20 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(trifluoromethyl)oct-7-en-3-amine is sourced from PubChem (CID 103311997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).