(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine

C12H15F2N — CID 103092570

IUPAC(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1c(F)cccc1F
InChIInChI=1S/C12H15F2N/c1-3-15-9(2)7-8-10-11(13)5-4-6-12(10)14/h4-9,15H,3H2,1-2H3/b8-7+
InChIKeyFTAGSDIAPRKNST-BQYQJAHWSA-N
MW211.25 g/mol
LogP2.98
Rot. Bonds4

About (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine

(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine (PubChem CID 103092570) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine
PubChem CID103092570
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine
SMILESCCNC(C)/C=C/c1c(F)cccc1F
InChIInChI=1S/C12H15F2N/c1-3-15-9(2)7-8-10-11(13)5-4-6-12(10)14/h4-9,15H,3H2,1-2H3/b8-7+
InChIKeyFTAGSDIAPRKNST-BQYQJAHWSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(4-chlorophenyl)-N-ethylbut-3-en-2-amine
CID 103092390
(E)-4-(2,6-difluorophenyl)but-3-en-2-amine
CID 103091649
(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
N-[3-(2,6-difluorophenyl)prop-2-enyl]-2-methylpropan-1-amine
CID 79347750
2-[(Z)-but-1-enyl]-1,3-difluorobenzene;ethane
CID 145147659
(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
CID 103092417
(E)-4-(4-bromo-3-methylphenyl)-N-ethylbut-3-en-2-amine
CID 103092540
1-(2-chloro-3-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 105000748
1-(2-chloro-3-fluorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 105017361
(E)-4-(2,3-dichlorophenyl)-N-propylbut-3-en-2-amine
CID 103092632
N-ethyl-2-[1-(ethylamino)ethyl]-3-fluoro-N-propylaniline
CID 43284613

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine (CID 103092570) is (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine is CCNC(C)/C=C/c1c(F)cccc1F.
What is the InChIKey of (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine?
The InChIKey is FTAGSDIAPRKNST-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H15F2N/c1-3-15-9(2)7-8-10-11(13)5-4-6-12(10)14/h4-9,15H,3H2,1-2H3/b8-7+.
What are the key properties of (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine?
(E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine has a molecular weight of 211.25 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,6-difluorophenyl)-N-ethylbut-3-en-2-amine is sourced from PubChem (CID 103092570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).