3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine

C7H11F4N — CID 130574590

IUPAC3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
SMILESC=C(C(F)(F)F)C(C)(F)C(C)N
InChIInChI=1S/C7H11F4N/c1-4(7(9,10)11)6(3,8)5(2)12/h5H,1,12H2,2-3H3
InChIKeyWBLAIGDINGEBBQ-UHFFFAOYSA-N
MW185.16 g/mol
LogP2.18
Rot. Bonds2

About 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine

3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine (PubChem CID 130574590) has the molecular formula C7H11F4N and a molecular weight of 185.16 g/mol. Its IUPAC name is 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine.

Molecular Properties

Compound Name3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
PubChem CID130574590
Molecular FormulaC7H11F4N
Molecular Weight185.16 g/mol
Exact Mass185.08
IUPAC Name3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
SMILESC=C(C(F)(F)F)C(C)(F)C(C)N
InChIInChI=1S/C7H11F4N/c1-4(7(9,10)11)6(3,8)5(2)12/h5H,1,12H2,2-3H3
InChIKeyWBLAIGDINGEBBQ-UHFFFAOYSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 52.18
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

(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
2-methylbutane-2,3-diamine;bis(2,2,2-trifluoroacetic acid)
CID 171930864
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
1,1,1-trifluoro-2-methyl-3-(trifluoromethyl)but-3-en-2-ol
CID 162534784
4-amino-2-(trifluoromethyl)pent-1-en-3-one
CID 130564993
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
(3R)-but-1-ene-2,3-diamine
CID 142167658
(2S,3S)-3-amino-1,1,1-trifluoro-2-methylbutan-2-ol;hydrochloride
CID 87235150
(2R)-3,4-difluoro-2,3-dimethylpent-4-enal
CID 138646598
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
CID 86659431
2-amino-1-sulfanylpropane-1,1-diol
CID 22614078

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine?
The IUPAC name of 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine (CID 130574590) is 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine.
What is the SMILES notation for 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine?
The canonical SMILES for 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine is C=C(C(F)(F)F)C(C)(F)C(C)N.
What is the InChIKey of 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine?
The InChIKey is WBLAIGDINGEBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4N/c1-4(7(9,10)11)6(3,8)5(2)12/h5H,1,12H2,2-3H3.
What are the key properties of 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine?
3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine has a molecular weight of 185.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine is sourced from PubChem (CID 130574590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).