(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine

C11H13F2N — CID 117286859

IUPAC(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine
SMILESCCc1cc(F)c(F)c(/C=C/CN)c1
InChIInChI=1S/C11H13F2N/c1-2-8-6-9(4-3-5-14)11(13)10(12)7-8/h3-4,6-7H,2,5,14H2,1H3/b4-3+
InChIKeyWHXLVYZDVATDGU-ONEGZZNKSA-N
MW197.23 g/mol
LogP2.50
Rot. Bonds3

About (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine

(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine (PubChem CID 117286859) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine
PubChem CID117286859
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine
SMILESCCc1cc(F)c(F)c(/C=C/CN)c1
InChIInChI=1S/C11H13F2N/c1-2-8-6-9(4-3-5-14)11(13)10(12)7-8/h3-4,6-7H,2,5,14H2,1H3/b4-3+
InChIKeyWHXLVYZDVATDGU-ONEGZZNKSA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3-(3-chloro-5-ethyl-2-fluorophenyl)prop-2-en-1-amine
CID 117304732
2-[(E)-3-aminoprop-1-enyl]-4-ethyl-6-methoxyphenol
CID 117295929
(E)-3-(2,5-difluoro-4-methylsulfanylphenyl)prop-2-en-1-amine
CID 117306899
1,2-difluoro-3-[(E)-hept-1-enyl]-5-methylbenzene
CID 10966155
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoroaniline
CID 115111057
3-(2,5-difluorophenyl)prop-2-en-1-amine
CID 76997167
(E)-3-(3-bromo-2,4-difluorophenyl)prop-2-en-1-amine
CID 117372632
3-(4-ethoxy-2-fluorophenyl)prop-2-en-1-amine
CID 169463810
(E)-3-(5-bromo-2-chloro-4-fluorophenyl)prop-2-en-1-amine
CID 117415994
(E)-3-(2,4-difluoro-5-propan-2-ylphenyl)prop-2-en-1-amine
CID 117301557
(E)-3-(3-ethyl-5-methoxyphenyl)prop-2-en-1-amine
CID 117282502
5-[(E)-3-aminoprop-1-enyl]-2,3-difluoro-N,N-dimethylaniline
CID 115111094

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine (CID 117286859) is (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine is CCc1cc(F)c(F)c(/C=C/CN)c1.
What is the InChIKey of (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine?
The InChIKey is WHXLVYZDVATDGU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13F2N/c1-2-8-6-9(4-3-5-14)11(13)10(12)7-8/h3-4,6-7H,2,5,14H2,1H3/b4-3+.
What are the key properties of (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine?
(E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-ethyl-2,3-difluorophenyl)prop-2-en-1-amine is sourced from PubChem (CID 117286859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).