N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide

C11H10Cl2F3NO — CID 124640511

IUPACN-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)N[C@H](CC(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2F3NO/c1-6(18)17-9(5-11(14,15)16)10-7(12)3-2-4-8(10)13/h2-4,9H,5H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeySIQSLNCFKYUIBN-SECBINFHSA-N
MW300.11 g/mol
LogP4.12
Rot. Bonds3

About N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide

N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide (PubChem CID 124640511) has the molecular formula C11H10Cl2F3NO and a molecular weight of 300.11 g/mol. Its IUPAC name is N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
PubChem CID124640511
Molecular FormulaC11H10Cl2F3NO
Molecular Weight300.11 g/mol
Exact Mass299.01
IUPAC NameN-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide
SMILESCC(=O)N[C@H](CC(F)(F)F)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H10Cl2F3NO/c1-6(18)17-9(5-11(14,15)16)10-7(12)3-2-4-8(10)13/h2-4,9H,5H2,1H3,(H,17,18)/t9-/m1/s1
InChIKeySIQSLNCFKYUIBN-SECBINFHSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-(3-chlorophenyl)-3,3,3-trifluoropropyl]acetamide
CID 139194092
N-[(1R)-3,3,3-trifluoro-1-(4-methylphenyl)propyl]acetamide
CID 129412239
N-[(1R)-3,3,3-trifluoro-1-(3-formylphenyl)propyl]acetamide
CID 129412242
N-[(1R)-1-(4-bromophenyl)-3,3,3-trifluoropropyl]acetamide
CID 129412209
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171197929
[1-(2,6-dichlorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313893
2-(2-chloro-6-fluorophenyl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 54892847
N-[2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 122155992
N-[(2R)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589497
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589498

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The IUPAC name of N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide (CID 124640511) is N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide.
What is the SMILES notation for N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The canonical SMILES for N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide is CC(=O)N[C@H](CC(F)(F)F)c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide?
The InChIKey is SIQSLNCFKYUIBN-SECBINFHSA-N. The full InChI is InChI=1S/C11H10Cl2F3NO/c1-6(18)17-9(5-11(14,15)16)10-7(12)3-2-4-8(10)13/h2-4,9H,5H2,1H3,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide?
N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide has a molecular weight of 300.11 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropyl]acetamide is sourced from PubChem (CID 124640511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).