(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride

C11H12ClF4N — CID 66983008

IUPAC(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
SMILESCl.NC/C(F)=C\Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4N.ClH/c12-10(7-16)5-4-8-2-1-3-9(6-8)11(13,14)15;/h1-3,5-6H,4,7,16H2;1H/b10-5+;
InChIKeyRWEKRLVJYCBDQN-OAZHBLANSA-N
MW269.67 g/mol
LogP3.48
Rot. Bonds3

About (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride

(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride (PubChem CID 66983008) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
PubChem CID66983008
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC Name(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride
SMILESCl.NC/C(F)=C\Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H11F4N.ClH/c12-10(7-16)5-4-8-2-1-3-9(6-8)11(13,14)15;/h1-3,5-6H,4,7,16H2;1H/b10-5+;
InChIKeyRWEKRLVJYCBDQN-OAZHBLANSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride?
The IUPAC name of (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride (CID 66983008) is (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride.
What is the SMILES notation for (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride?
The canonical SMILES for (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride is Cl.NC/C(F)=C\Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride?
The InChIKey is RWEKRLVJYCBDQN-OAZHBLANSA-N. The full InChI is InChI=1S/C11H11F4N.ClH/c12-10(7-16)5-4-8-2-1-3-9(6-8)11(13,14)15;/h1-3,5-6H,4,7,16H2;1H/b10-5+;.
What are the key properties of (E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride?
(E)-2-fluoro-4-[3-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride has a molecular weight of 269.67 g/mol, XLogP of 3.48, 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-(trifluoromethyl)phenyl]but-2-en-1-amine;hydrochloride is sourced from PubChem (CID 66983008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).