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

C11H13F2N — CID 6437850

IUPAC(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
SMILESNC/C(=C/F)CCc1ccc(F)cc1
InChIInChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
InChIKeyVXLBSYHAEKDUSU-JXMROGBWSA-N
MW197.23 g/mol
LogP2.57
Rot. Bonds4

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

(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine (PubChem CID 6437850) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
PubChem CID6437850
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
SMILESNC/C(=C/F)CCc1ccc(F)cc1
InChIInChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+
InChIKeyVXLBSYHAEKDUSU-JXMROGBWSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.57
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?
The IUPAC name of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine (CID 6437850) is (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine.
What is the SMILES notation for (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
The canonical SMILES for (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine is NC/C(=C/F)CCc1ccc(F)cc1.
What is the InChIKey of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
The InChIKey is VXLBSYHAEKDUSU-JXMROGBWSA-N. The full InChI is InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+.
What are the key properties of (2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
(2E)-2-(fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine has a molecular weight of 197.23 g/mol, XLogP of 2.57, 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 is sourced from PubChem (CID 6437850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).