5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine

C6H7F6N — CID 103312089

IUPAC5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=CC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N/c1-2-3(13)4(5(7,8)9)6(10,11)12/h2-4H,1,13H2
InChIKeyIONRYOCPULZAOP-UHFFFAOYSA-N
MW207.12 g/mol
LogP2.24
Rot. Bonds2

About 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine

5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine (PubChem CID 103312089) has the molecular formula C6H7F6N and a molecular weight of 207.12 g/mol. Its IUPAC name is 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine
PubChem CID103312089
Molecular FormulaC6H7F6N
Molecular Weight207.12 g/mol
Exact Mass207.05
IUPAC Name5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=CC(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6N/c1-2-3(13)4(5(7,8)9)6(10,11)12/h2-4H,1,13H2
InChIKeyIONRYOCPULZAOP-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.12
LogP ≤ 52.24
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-Trifluorobut-3-en-2-amine
CID 17980420
(2R)-1,1,1-trifluorobut-3-en-2-amine
CID 88945159
(2S)-1,1,1-trifluorobut-3-en-2-amine
CID 88945210
6-Fluoro-4-methylhexa-1,5-dien-3-amine
CID 91533249
1,1-Difluorobut-3-en-2-amine
CID 121602135
(E)-1,1,4-trifluorobut-3-en-2-amine
CID 141007095
4,4,5,5,6,6,6-Heptafluorohex-1-en-3-amine
CID 175197164
5,5,5-Trifluoropent-1-en-3-amine
CID 65575975
1,1,1-Trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311756
5,5,5-trifluoro-N-methyl-4-(trifluoromethyl)pent-1-en-3-amine
CID 103312090
(3S)-5,5,5-Trifluoro-1-penten-3-amine
CID 130038577
5,5-Difluoropent-1-en-3-amine
CID 162541863

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine?
The IUPAC name of 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine (CID 103312089) is 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine.
What is the SMILES notation for 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine?
The canonical SMILES for 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine is C=CC(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine?
The InChIKey is IONRYOCPULZAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6N/c1-2-3(13)4(5(7,8)9)6(10,11)12/h2-4H,1,13H2.
What are the key properties of 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine?
5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine has a molecular weight of 207.12 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-4-(trifluoromethyl)pent-1-en-3-amine is sourced from PubChem (CID 103312089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).