1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde

C11H9ClF2O — CID 105488735

IUPAC1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)CC(F)(F)C1
InChIInChI=1S/C11H9ClF2O/c12-9-3-1-2-8(4-9)10(7-15)5-11(13,14)6-10/h1-4,7H,5-6H2
InChIKeyPPOYAJXTNPJHSG-UHFFFAOYSA-N
MW230.64 g/mol
LogP3.21
Rot. Bonds2

About 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde

1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde (PubChem CID 105488735) has the molecular formula C11H9ClF2O and a molecular weight of 230.64 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
PubChem CID105488735
Molecular FormulaC11H9ClF2O
Molecular Weight230.64 g/mol
Exact Mass230.03
IUPAC Name1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)CC(F)(F)C1
InChIInChI=1S/C11H9ClF2O/c12-9-3-1-2-8(4-9)10(7-15)5-11(13,14)6-10/h1-4,7H,5-6H2
InChIKeyPPOYAJXTNPJHSG-UHFFFAOYSA-N
XLogP3.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.64
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
CID 14382190
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
4-(3-chlorophenyl)oxane-4-carbaldehyde
CID 42553293
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
CID 105490327
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 105488768
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
bis[1-(3-chlorophenyl)cyclopropyl]methanone
CID 141485401

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde (CID 105488735) is 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde is O=CC1(c2cccc(Cl)c2)CC(F)(F)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde?
The InChIKey is PPOYAJXTNPJHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2O/c12-9-3-1-2-8(4-9)10(7-15)5-11(13,14)6-10/h1-4,7H,5-6H2.
What are the key properties of 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde?
1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde has a molecular weight of 230.64 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde is sourced from PubChem (CID 105488735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).