1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine

C8H14F3N — CID 162613809

IUPAC1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
SMILESCC(C)=CC(N(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)5-7(12(3)4)8(9,10)11/h5,7H,1-4H3
InChIKeyURPOOUHUBRDWKX-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.45
Rot. Bonds2

About 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine

1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine (PubChem CID 162613809) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
PubChem CID162613809
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
SMILESCC(C)=CC(N(C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N/c1-6(2)5-7(12(3)4)8(9,10)11/h5,7H,1-4H3
InChIKeyURPOOUHUBRDWKX-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-[bis(trifluoromethyl)boranyl]-N,N,4-trimethylpent-3-en-2-amine
CID 134906508
(Z)-5-[bis(trifluoromethyl)boranyl]-N,N-diethyl-4-methylpent-3-en-2-amine
CID 134906534
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
1-Methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
CID 123157362
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 127668747
(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine
CID 129140575
(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane
CID 145011954
(Z)-1-fluoro-N,N,5-trimethylhex-3-en-2-amine
CID 146586946
1,2-dimethyl-5-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 147185667

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine (CID 162613809) is 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine is CC(C)=CC(N(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine?
The InChIKey is URPOOUHUBRDWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-6(2)5-7(12(3)4)8(9,10)11/h5,7H,1-4H3.
What are the key properties of 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine?
1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine has a molecular weight of 181.20 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine is sourced from PubChem (CID 162613809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).