1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine

C8H11F6N — CID 103312000

IUPAC1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
SMILESC=CCCC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-2-3-4-5(15)6(7(9,10)11)8(12,13)14/h2,5-6H,1,3-4,15H2
InChIKeyXFWDVDZKDZWTHR-UHFFFAOYSA-N
MW235.17 g/mol
LogP3.02
Rot. Bonds4

About 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine

1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine (PubChem CID 103312000) has the molecular formula C8H11F6N and a molecular weight of 235.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
PubChem CID103312000
Molecular FormulaC8H11F6N
Molecular Weight235.17 g/mol
Exact Mass235.08
IUPAC Name1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
SMILESC=CCCC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H11F6N/c1-2-3-4-5(15)6(7(9,10)11)8(12,13)14/h2,5-6H,1,3-4,15H2
InChIKeyXFWDVDZKDZWTHR-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 53.02
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

7,7,7-Trifluorohept-1-en-4-amine
CID 79954081
4-(Trifluoromethyl)hept-6-en-1-amine
CID 89153956
1-(3,3-Difluorocyclobutyl)but-3-en-1-amine
CID 130907354
(Z)-4-ethenyl-9,9-difluorodec-6-en-3-amine
CID 135227277
5-(Trifluoromethyl)cyclohex-3-en-1-amine
CID 155106040
7,7,7-trifluoro-N,6-dimethylhept-1-en-4-amine
CID 162600972
(E)-1,7,7-trifluorohept-1-en-4-amine
CID 163278127
(4S)-7,7,7-trifluorohept-1-en-4-amine
CID 163278466
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
6-Methyl-2-(trifluoromethyl)cyclohex-3-en-1-amine
CID 167159729

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
The IUPAC name of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine (CID 103312000) is 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine is C=CCCC(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
The InChIKey is XFWDVDZKDZWTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F6N/c1-2-3-4-5(15)6(7(9,10)11)8(12,13)14/h2,5-6H,1,3-4,15H2.
What are the key properties of 1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine?
1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine has a molecular weight of 235.17 g/mol, XLogP of 3.02, 4 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)hept-6-en-3-amine is sourced from PubChem (CID 103312000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).