1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine

C7H9F6N — CID 103311756

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=CCC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c1-2-3-4(14)5(6(8,9)10)7(11,12)13/h2,4-5H,1,3,14H2
InChIKeyUVILCTJRKWLNMN-UHFFFAOYSA-N
MW221.14 g/mol
LogP2.63
Rot. Bonds3

About 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine

1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine (PubChem CID 103311756) has the molecular formula C7H9F6N and a molecular weight of 221.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
PubChem CID103311756
Molecular FormulaC7H9F6N
Molecular Weight221.14 g/mol
Exact Mass221.06
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
SMILESC=CCC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6N/c1-2-3-4(14)5(6(8,9)10)7(11,12)13/h2,4-5H,1,3,14H2
InChIKeyUVILCTJRKWLNMN-UHFFFAOYSA-N
XLogP2.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.14
LogP ≤ 52.63
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

1,1,1-Trifluorohex-5-en-3-amine
CID 61392748
(3R)-1,1,1-trifluorohex-5-en-3-amine
CID 124424014
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
1-(2,2-Difluorocyclopropyl)but-3-en-1-amine
CID 167047150
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311757
1,1,1-Trifluoro-2-(trifluoromethyl)oct-7-en-3-amine
CID 103311997
1,1,1-Trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312000
5,5,5-Trifluoro-4-(trifluoromethyl)pent-1-en-3-amine
CID 103312089
5,5,5-Trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine
CID 103312110
2-(2,2,2-Trifluoroethyl)pent-4-en-1-amine
CID 121208236
(3S)-1,1,1-trifluorohex-5-en-3-amine
CID 124424013

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine (CID 103311756) is 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine is C=CCC(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine?
The InChIKey is UVILCTJRKWLNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6N/c1-2-3-4(14)5(6(8,9)10)7(11,12)13/h2,4-5H,1,3,14H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine?
1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine has a molecular weight of 221.14 g/mol, XLogP of 2.63, 3 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)hex-5-en-3-amine is sourced from PubChem (CID 103311756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).