(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine

C10H9ClF3N — CID 115041180

IUPAC(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
SMILESNC/C=C(\c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF3N/c11-8-3-1-2-7(6-8)9(4-5-15)10(12,13)14/h1-4,6H,5,15H2/b9-4+
InChIKeyNAWJMEMTOJQCDS-RUDMXATFSA-N
MW235.64 g/mol
LogP3.24
Rot. Bonds2

About (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine

(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine (PubChem CID 115041180) has the molecular formula C10H9ClF3N and a molecular weight of 235.64 g/mol. Its IUPAC name is (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
PubChem CID115041180
Molecular FormulaC10H9ClF3N
Molecular Weight235.64 g/mol
Exact Mass235.04
IUPAC Name(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine
SMILESNC/C=C(\c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9ClF3N/c11-8-3-1-2-7(6-8)9(4-5-15)10(12,13)14/h1-4,6H,5,15H2/b9-4+
InChIKeyNAWJMEMTOJQCDS-RUDMXATFSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.64
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 172583598
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CID 143764224
1-chloro-3-(1-chloro-3,3,3-trifluoroprop-1-enyl)benzene
CID 88636506
3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-one
CID 15113984
N-(3-amino-2,2-difluoropropyl)-3-chlorobenzamide
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1-[(E)-but-2-en-2-yl]-3-chlorobenzene
CID 20717800
(Z)-3-(4-chlorophenyl)-4,4-dimethylpent-2-en-1-amine
CID 115034283
3-[(E)-3-amino-1-(3-chlorophenyl)prop-1-enyl]benzoyl azide
CID 143150747
3-bromo-1-(3-chlorophenyl)-2,2-difluoropropan-1-one
CID 172583655
2-(3-chlorophenyl)-3-fluoroprop-2-en-1-ol
CID 70429367
(E)-4-(3-chlorophenyl)pent-3-enoic acid
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tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine?
The IUPAC name of (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine (CID 115041180) is (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine.
What is the SMILES notation for (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine?
The canonical SMILES for (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine is NC/C=C(\c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine?
The InChIKey is NAWJMEMTOJQCDS-RUDMXATFSA-N. The full InChI is InChI=1S/C10H9ClF3N/c11-8-3-1-2-7(6-8)9(4-5-15)10(12,13)14/h1-4,6H,5,15H2/b9-4+.
What are the key properties of (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine?
(E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine has a molecular weight of 235.64 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chlorophenyl)-4,4,4-trifluorobut-2-en-1-amine is sourced from PubChem (CID 115041180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).