N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide

C11H9ClF3NO — CID 135085974

IUPACN-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-3-2-4-9(12)5-8/h2-6H,1H3,(H,16,17)/b10-6-
InChIKeyWLQWECIWHLXNAP-POHAHGRESA-N
MW263.65 g/mol
LogP3.38
Rot. Bonds2

About N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide

N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide (PubChem CID 135085974) has the molecular formula C11H9ClF3NO and a molecular weight of 263.65 g/mol. Its IUPAC name is N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
PubChem CID135085974
Molecular FormulaC11H9ClF3NO
Molecular Weight263.65 g/mol
Exact Mass263.03
IUPAC NameN-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(=C\c1cccc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H9ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-3-2-4-9(12)5-8/h2-6H,1H3,(H,16,17)/b10-6-
InChIKeyWLQWECIWHLXNAP-POHAHGRESA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-amino-6-[(E)-2-(3-chlorophenyl)ethenyl]-1H-pyridin-2-one
CID 145988332
N-[(E)-2-(3-chlorophenyl)vinyl]acetamide
CID 44426084
4-(3-Chlorophenyl)-5-methylidenepyrrol-2-one
CID 90329703
4-(4-chloro-phenyl)-6-trifluoromethyl-1H-pyridin-2-one
CID 57468634
N-[(Z)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]acetamide
CID 101909637
Chlorphentermine N-TFA
CID 13715177
N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065920
N-[(E)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-enyl]acetamide
CID 135071135
N-[(Z)-1-(4-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
CID 135085975
N-[(Z)-1-(2-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide
CID 135087063
N-[1-(3-chlorophenyl)propan-2-yl]-2,2,2-trifluoroacetamide
CID 62491648
2,2,2-trifluoro-N-[(E)-1-phenylprop-1-en-2-yl]acetamide
CID 20074180

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide (CID 135085974) is N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide is CC(=O)N/C(=C\c1cccc(Cl)c1)C(F)(F)F.
What is the InChIKey of N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide?
The InChIKey is WLQWECIWHLXNAP-POHAHGRESA-N. The full InChI is InChI=1S/C11H9ClF3NO/c1-7(17)16-10(11(13,14)15)6-8-3-2-4-9(12)5-8/h2-6H,1H3,(H,16,17)/b10-6-.
What are the key properties of N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide?
N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide has a molecular weight of 263.65 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3-chlorophenyl)-3,3,3-trifluoroprop-1-en-2-yl]acetamide is sourced from PubChem (CID 135085974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).