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

C11H13ClFN — CID 25014173

IUPAC(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine
SMILESNC/C(=C/F)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClFN/c12-11-5-3-9(4-6-11)1-2-10(7-13)8-14/h3-7H,1-2,8,14H2/b10-7+
InChIKeyIKVIXMHYPZLIMC-JXMROGBWSA-N
MW213.68 g/mol
LogP3.08
Rot. Bonds4

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

(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine (PubChem CID 25014173) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine.

Molecular Properties

Compound Name(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine
PubChem CID25014173
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine
SMILESNC/C(=C/F)CCc1ccc(Cl)cc1
InChIInChI=1S/C11H13ClFN/c12-11-5-3-9(4-6-11)1-2-10(7-13)8-14/h3-7H,1-2,8,14H2/b10-7+
InChIKeyIKVIXMHYPZLIMC-JXMROGBWSA-N
XLogP3.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2Z)-2-(fluoromethylidene)-4-(4-methoxyphenyl)butan-1-amine
CID 59029480
1-amino-4-(4-chlorophenyl)butan-2-one
CID 59029546
(E)-2-[(3,4-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 66982653
(Z)-2-[(3,5-dichlorophenyl)methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 66982716
(Z)-3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine
CID 25013777
3-(4-chlorophenyl)-N'-hydroxypropanimidamide
CID 91810227
3-fluoro-2-[(4-fluoro-3-methylphenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66982930
3-(4-chlorophenyl)propanoic acid;guanidine
CID 69413371
acetyl 3-(4-chlorophenyl)propanoate
CID 174360219
[4-[2-(4-chlorophenyl)ethyl]phenyl]methanol
CID 118032824
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
butyl 3-(4-chlorophenyl)propanoate
CID 24808099

Frequently Asked Questions

What is the IUPAC name of (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine?
The IUPAC name of (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine (CID 25014173) is (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine.
What is the SMILES notation for (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine?
The canonical SMILES for (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine is NC/C(=C/F)CCc1ccc(Cl)cc1.
What is the InChIKey of (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine?
The InChIKey is IKVIXMHYPZLIMC-JXMROGBWSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-11-5-3-9(4-6-11)1-2-10(7-13)8-14/h3-7H,1-2,8,14H2/b10-7+.
What are the key properties of (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine?
(2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine has a molecular weight of 213.68 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(4-chlorophenyl)-2-(fluoromethylidene)butan-1-amine is sourced from PubChem (CID 25014173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).