(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine

C10H11F2N — CID 25013451

IUPAC(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
SMILESNC/C(F)=C\Cc1cccc(F)c1
InChIInChI=1S/C10H11F2N/c11-9-3-1-2-8(6-9)4-5-10(12)7-13/h1-3,5-6H,4,7,13H2/b10-5+
InChIKeyCJWYUEABTQAOCS-BJMVGYQFSA-N
MW183.20 g/mol
LogP2.18
Rot. Bonds3

About (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine

(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine (PubChem CID 25013451) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
PubChem CID25013451
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine
SMILESNC/C(F)=C\Cc1cccc(F)c1
InChIInChI=1S/C10H11F2N/c11-9-3-1-2-8(6-9)4-5-10(12)7-13/h1-3,5-6H,4,7,13H2/b10-5+
InChIKeyCJWYUEABTQAOCS-BJMVGYQFSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(E)-4-amino-3-fluorobut-2-enyl]-N,N-dimethylaniline;hydrochloride
CID 66982993
2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983257
(Z)-2-fluoro-4-(3-methoxyphenyl)but-2-en-1-amine;hydrochloride
CID 66983256
2-[(3-fluorophenyl)methyl]prop-2-en-1-amine
CID 117266417
3-fluoro-2-[(3-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983127
(Z)-4-(3-fluorophenyl)-N-methylbut-2-en-1-amine
CID 117265824
1-fluoro-3-[3-(3-fluorophenyl)prop-1-enyl]benzene
CID 174834493
2-[(3-fluorophenyl)methyl]guanidine
CID 14963573
(E)-1-amino-4-(3,5-difluorophenyl)but-2-en-2-ol
CID 142242491
(3-fluorophenyl)methanolate
CID 101198036
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
2-fluoro-5-(3-methoxyphenyl)pent-2-en-1-amine;hydrochloride
CID 66983281

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine?
The IUPAC name of (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine (CID 25013451) is (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine.
What is the SMILES notation for (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine?
The canonical SMILES for (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine is NC/C(F)=C\Cc1cccc(F)c1.
What is the InChIKey of (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine?
The InChIKey is CJWYUEABTQAOCS-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H11F2N/c11-9-3-1-2-8(6-9)4-5-10(12)7-13/h1-3,5-6H,4,7,13H2/b10-5+.
What are the key properties of (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine?
(E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine has a molecular weight of 183.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-4-(3-fluorophenyl)but-2-en-1-amine is sourced from PubChem (CID 25013451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).