N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide

C9H7ClF3NO — CID 117275285

IUPACN-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(CCl)cc1)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c10-5-6-1-3-7(4-2-6)14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyINRTVQMEFAIZJH-UHFFFAOYSA-N
MW237.61 g/mol
LogP2.93
Rot. Bonds2

About N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 117275285) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID117275285
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC NameN-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(CCl)cc1)C(F)(F)F
InChIInChI=1S/C9H7ClF3NO/c10-5-6-1-3-7(4-2-6)14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChIKeyINRTVQMEFAIZJH-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2,2,2-trifluoro-N-[4-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 15498276
4-[(2,2,2-trifluoroacetyl)amino]phenolate
CID 171407160
2-methyl-N-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]prop-2-enamide
CID 108933950
3-(4-fluorophenyl)-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]propanamide
CID 110622806
N-[4-(2-bromobutyl)phenyl]-2,2,2-trifluoroacetamide
CID 82259344
N-[4-(difluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 130770723
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
2,2,2-trifluoro-N-pyridin-4-ylacetamide
CID 4095205

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 117275285) is N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(CCl)cc1)C(F)(F)F.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is INRTVQMEFAIZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c10-5-6-1-3-7(4-2-6)14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15).
What are the key properties of N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 237.61 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 117275285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).