2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde

C10H3Cl2F7O — CID 118065573

IUPAC2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde
SMILESO=Cc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl2F7O/c11-6-1-4(2-7(12)5(6)3-20)8(13,9(14,15)16)10(17,18)19/h1-3H
InChIKeyXXPPRWVNMZWMBH-UHFFFAOYSA-N
MW343.03 g/mol
LogP5.10
Rot. Bonds2

About 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde

2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde (PubChem CID 118065573) has the molecular formula C10H3Cl2F7O and a molecular weight of 343.03 g/mol. Its IUPAC name is 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde.

Molecular Properties

Compound Name2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde
PubChem CID118065573
Molecular FormulaC10H3Cl2F7O
Molecular Weight343.03 g/mol
Exact Mass341.94
IUPAC Name2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde
SMILESO=Cc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H3Cl2F7O/c11-6-1-4(2-7(12)5(6)3-20)8(13,9(14,15)16)10(17,18)19/h1-3H
InChIKeyXXPPRWVNMZWMBH-UHFFFAOYSA-N
XLogP5.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.03
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylaniline
CID 96536452
4-chloro-2,6-bis(trifluoromethyl)benzaldehyde
CID 118990875
4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylbenzaldehyde;(NE)-N-[[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]methylidene]hydroxylamine;hydroxylamine;hydrochloride
CID 172923672
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-hydroxybenzenecarboximidoyl chloride
CID 118065074
2,6-dichloro-4-[1-(3,5-dichloro-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol
CID 174906043
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
2,6-dichloro-4-methylsulfanylbenzaldehyde
CID 87864028
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
1,3-dichloro-5-(2,3,4,4,5,5-hexafluoro-2-methylhexan-3-yl)-2-methylbenzene
CID 156749474
1-(diaminomethylidene)-2-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]guanidine
CID 168601751
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
CID 84732821

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde?
The IUPAC name of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde (CID 118065573) is 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde.
What is the SMILES notation for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde?
The canonical SMILES for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde is O=Cc1c(Cl)cc(C(F)(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde?
The InChIKey is XXPPRWVNMZWMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl2F7O/c11-6-1-4(2-7(12)5(6)3-20)8(13,9(14,15)16)10(17,18)19/h1-3H.
What are the key properties of 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde?
2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde has a molecular weight of 343.03 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzaldehyde is sourced from PubChem (CID 118065573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).