(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine

C7H12F3N — CID 129140575

IUPAC(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine
SMILESC/C=C\C(N(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-5-6(11(2)3)7(8,9)10/h4-6H,1-3H3/b5-4-
InChIKeyABFSYSBCIADGAO-PLNGDYQASA-N
MW167.17 g/mol
LogP2.06
Rot. Bonds2

About (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine

(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine (PubChem CID 129140575) has the molecular formula C7H12F3N and a molecular weight of 167.17 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine
PubChem CID129140575
Molecular FormulaC7H12F3N
Molecular Weight167.17 g/mol
Exact Mass167.09
IUPAC Name(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine
SMILESC/C=C\C(N(C)C)C(F)(F)F
InChIInChI=1S/C7H12F3N/c1-4-5-6(11(2)3)7(8,9)10/h4-6H,1-3H3/b5-4-
InChIKeyABFSYSBCIADGAO-PLNGDYQASA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.06
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

(E)-N,N-bis(trifluoromethyl)pent-2-en-1-amine
CID 59366583
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142
1-Methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
CID 123157362
(6R)-3-fluoro-1,6-dimethyl-3,6-dihydro-2H-pyridine
CID 132066957
4-Fluoro-1,2-dimethyl-2,5-dihydropyrrole
CID 139314201
(Z)-1,1,1-trifluoro-N,N-dimethylhept-4-en-2-amine
CID 139443965
1-(1,1,1,3-tetrafluorobut-3-en-2-yl)-3,6-dihydro-2H-pyridine
CID 145322980
1,2,3-Trimethyl-6-(trifluoromethyl)-3,6-dihydropyridazine
CID 155001342
1-Methyl-2-(trifluoromethyl)-1-azacyclohepta-3,5,6-triene
CID 156089371
1,1,1-trifluoro-N,N,4-trimethylpent-3-en-2-amine
CID 162613809
3,3-Difluoro-1-propan-2-yl-2,6-dihydropyridine
CID 166157513
6,6-difluoro-1-propan-2-yl-3,7-dihydro-2H-azepine
CID 166157546

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine (CID 129140575) is (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine is C/C=C\C(N(C)C)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine?
The InChIKey is ABFSYSBCIADGAO-PLNGDYQASA-N. The full InChI is InChI=1S/C7H12F3N/c1-4-5-6(11(2)3)7(8,9)10/h4-6H,1-3H3/b5-4-.
What are the key properties of (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine?
(Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine has a molecular weight of 167.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-N,N-dimethylpent-3-en-2-amine is sourced from PubChem (CID 129140575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).