N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine

C9H13F6N — CID 103312112

IUPACN-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-4-16-6(5(2)3)7(8(10,11)12)9(13,14)15/h6-7,16H,2,4H2,1,3H3
InChIKeyJHLGSYWFELYCLV-UHFFFAOYSA-N
MW249.20 g/mol
LogP3.28
Rot. Bonds4

About N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine

N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine (PubChem CID 103312112) has the molecular formula C9H13F6N and a molecular weight of 249.20 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine
PubChem CID103312112
Molecular FormulaC9H13F6N
Molecular Weight249.20 g/mol
Exact Mass249.10
IUPAC NameN-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine
SMILESC=C(C)C(NCC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H13F6N/c1-4-16-6(5(2)3)7(8(10,11)12)9(13,14)15/h6-7,16H,2,4H2,1,3H3
InChIKeyJHLGSYWFELYCLV-UHFFFAOYSA-N
XLogP3.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 53.28
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

2-(difluoromethylidene)-1,1,3,3,4,5,5,5-octafluoro-N-propyl-4-(trifluoromethyl)pentan-1-amine
CID 19761937
5,5,5-trifluoro-N,2-dimethylpent-1-en-3-amine
CID 79190076
N-ethyl-5,5,5-trifluoro-2-methylpent-1-en-3-amine
CID 79190185
5,5,5-trifluoro-2-methyl-N-propylpent-1-en-3-amine
CID 79190294
N-ethyl-6,6,6-trifluoro-2-methylhex-1-en-3-amine
CID 79953603
6,6,6-trifluoro-N,2-dimethylhex-1-en-3-amine
CID 79954619
6,6,6-trifluoro-2-methyl-N-propylhex-1-en-3-amine
CID 79965094
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311757
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311758
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-3-amine
CID 103311759
1,1,1-trifluoro-N-methyl-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312001
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)hept-6-en-3-amine
CID 103312002

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine (CID 103312112) is N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine is C=C(C)C(NCC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
The InChIKey is JHLGSYWFELYCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F6N/c1-4-16-6(5(2)3)7(8(10,11)12)9(13,14)15/h6-7,16H,2,4H2,1,3H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine?
N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine has a molecular weight of 249.20 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pent-1-en-3-amine is sourced from PubChem (CID 103312112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).