1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile

C11H8FNO — CID 177016890

IUPAC1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(C=O)cc2F)CC1
InChIInChI=1S/C11H8FNO/c12-10-5-8(6-14)1-2-9(10)11(7-13)3-4-11/h1-2,5-6H,3-4H2
InChIKeyHGBXKBYHAZXPFI-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.19
Rot. Bonds2

About 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile

1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile (PubChem CID 177016890) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile
PubChem CID177016890
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2ccc(C=O)cc2F)CC1
InChIInChI=1S/C11H8FNO/c12-10-5-8(6-14)1-2-9(10)11(7-13)3-4-11/h1-2,5-6H,3-4H2
InChIKeyHGBXKBYHAZXPFI-UHFFFAOYSA-N
XLogP2.19
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile 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

1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
CID 64560794
1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
CID 84772596
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
CID 67531755
1-(5-bromo-2,4-difluorophenyl)cyclobutane-1-carbonitrile
CID 84809468
1-(2-fluoro-5-methoxyphenyl)cyclopropane-1-carbonitrile
CID 91618990
1-(5-bromo-4-chloro-2-fluorophenyl)cyclobutane-1-carbonitrile
CID 84814477
3-(2-fluoro-5-formylphenyl)prop-2-enenitrile
CID 169483367
1-[4-[amino-(2-oxo-1,3-oxazolidin-3-yl)methyl]-2-fluorophenyl]cyclopropane-1-carbonitrile
CID 91550016
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
5,5-difluoro-7,8-dihydro-6H-naphthalene-2-carbaldehyde
CID 84720700

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile (CID 177016890) is 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile is N#CC1(c2ccc(C=O)cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile?
The InChIKey is HGBXKBYHAZXPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c12-10-5-8(6-14)1-2-9(10)11(7-13)3-4-11/h1-2,5-6H,3-4H2.
What are the key properties of 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile?
1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile has a molecular weight of 189.19 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 177016890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).