(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride

C11H14ClF2N — CID 6446650

IUPAC(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride
SMILESCl.NC/C(=C/F)CCc1ccc(F)cc1
InChIInChI=1S/C11H13F2N.ClH/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9;/h3-7H,1-2,8,14H2;1H/b10-7+;
InChIKeyQUCNNQHLIHGBIA-HCUGZAAXSA-N
MW233.69 g/mol
LogP2.99
Rot. Bonds4

About (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride

(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride (PubChem CID 6446650) has the molecular formula C11H14ClF2N and a molecular weight of 233.69 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride
PubChem CID6446650
Molecular FormulaC11H14ClF2N
Molecular Weight233.69 g/mol
Exact Mass233.08
IUPAC Name(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride
SMILESCl.NC/C(=C/F)CCc1ccc(F)cc1
InChIInChI=1S/C11H13F2N.ClH/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9;/h3-7H,1-2,8,14H2;1H/b10-7+;
InChIKeyQUCNNQHLIHGBIA-HCUGZAAXSA-N
XLogP2.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.69
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride?
The IUPAC name of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride (CID 6446650) is (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride?
The canonical SMILES for (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride is Cl.NC/C(=C/F)CCc1ccc(F)cc1.
What is the InChIKey of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride?
The InChIKey is QUCNNQHLIHGBIA-HCUGZAAXSA-N. The full InChI is InChI=1S/C11H13F2N.ClH/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9;/h3-7H,1-2,8,14H2;1H/b10-7+;.
What are the key properties of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride?
(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride has a molecular weight of 233.69 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine;hydrochloride is sourced from PubChem (CID 6446650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).