2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde

C11H11ClF3NO — CID 20792223

IUPAC2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde
SMILESCC(F)(F)CNc1ccc(Cl)c(CC=O)c1F
InChIInChI=1S/C11H11ClF3NO/c1-11(14,15)6-16-9-3-2-8(12)7(4-5-17)10(9)13/h2-3,5,16H,4,6H2,1H3
InChIKeyXCDXXPFCFYMHNW-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.29
Rot. Bonds5

About 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde

2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde (PubChem CID 20792223) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde.

Molecular Properties

Compound Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde
PubChem CID20792223
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde
SMILESCC(F)(F)CNc1ccc(Cl)c(CC=O)c1F
InChIInChI=1S/C11H11ClF3NO/c1-11(14,15)6-16-9-3-2-8(12)7(4-5-17)10(9)13/h2-3,5,16H,4,6H2,1H3
InChIKeyXCDXXPFCFYMHNW-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-(4-fluorophenyl)acetamide
CID 573195
N-[4-chloro-3-(trifluoromethyl)phenyl]pentanamide
CID 1638443
2-[6-Chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetic acid
CID 20792224
2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]-N-[2-(prop-1-en-2-ylamino)oxyethyl]acetamide
CID 20792227
2-{3-[(2,2-Difluoro-2-phenylethyl)amino]-6-chloro-2-fluorophenyl}ethanal
CID 22475314
2-(3-{[2,2-Difluoro-2-(4-fluoronaphthyl)ethyl]amino]-6-chloro-2-fluorophenyl)ethanal
CID 22475332
N-[4-chloro-3-(trifluoromethyl)phenyl]heptanamide
CID 24284698
N-(4-chloro-2-fluoro-3-formylphenyl)acetamide
CID 84784262
4-[4-Chloro-3-(1-fluoroethyl)anilino]benzaldehyde
CID 123581811
2-[6-Chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide
CID 142661719
2-[6-Chloro-3-[(2,2-difluoro-2-phenylethyl)amino]-2-fluorophenyl]acetamide;hydrochloride
CID 142661724
4-chloro-N-methyl-3-(trifluoromethyl)aniline;ethane;3-methylbenzaldehyde
CID 144862940

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde?
The IUPAC name of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde (CID 20792223) is 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde.
What is the SMILES notation for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde?
The canonical SMILES for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde is CC(F)(F)CNc1ccc(Cl)c(CC=O)c1F.
What is the InChIKey of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde?
The InChIKey is XCDXXPFCFYMHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-11(14,15)6-16-9-3-2-8(12)7(4-5-17)10(9)13/h2-3,5,16H,4,6H2,1H3.
What are the key properties of 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde?
2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde has a molecular weight of 265.66 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(2,2-difluoropropylamino)-2-fluorophenyl]acetaldehyde is sourced from PubChem (CID 20792223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).