2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde

C9H5F5O2 — CID 174144064

IUPAC2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
SMILESO=CC(F)(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H5F5O2/c10-8(11,5-15)16-7-3-1-6(2-4-7)9(12,13)14/h1-5H
InChIKeySYNXURVVSRCULH-UHFFFAOYSA-N
MW240.13 g/mol
LogP2.88
Rot. Bonds3

About 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde

2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde (PubChem CID 174144064) has the molecular formula C9H5F5O2 and a molecular weight of 240.13 g/mol. Its IUPAC name is 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
PubChem CID174144064
Molecular FormulaC9H5F5O2
Molecular Weight240.13 g/mol
Exact Mass240.02
IUPAC Name2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
SMILESO=CC(F)(F)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H5F5O2/c10-8(11,5-15)16-7-3-1-6(2-4-7)9(12,13)14/h1-5H
InChIKeySYNXURVVSRCULH-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
CID 173445400
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 175409271
oxo-[4-(trifluoromethyl)phenoxy]borane
CID 91607214
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729
[4-(trifluoromethyl)phenyl] carbonofluoridate
CID 10774714
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
5-methoxy-2-[4-(trifluoromethyl)phenyl]benzaldehyde
CID 103694158
2-sulfanyl-2-[4-(trifluoromethyl)phenyl]acetaldehyde
CID 173373397
4-[3-[4-(trifluoromethyl)phenoxy]phenoxy]benzaldehyde
CID 139680214
N,N-bis[4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]phenyl]-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]aniline
CID 143481047

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde?
The IUPAC name of 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde (CID 174144064) is 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde.
What is the SMILES notation for 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde?
The canonical SMILES for 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde is O=CC(F)(F)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde?
The InChIKey is SYNXURVVSRCULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O2/c10-8(11,5-15)16-7-3-1-6(2-4-7)9(12,13)14/h1-5H.
What are the key properties of 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde?
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde has a molecular weight of 240.13 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde is sourced from PubChem (CID 174144064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).