2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde

C11H12FNO — CID 43312967

IUPAC2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
SMILESCN(c1ccc(F)cc1C=O)C1CC1
InChIInChI=1S/C11H12FNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-7,10H,3-4H2,1H3
InChIKeyBCRCCZBIQHXWLV-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.24
Rot. Bonds3

About 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde

2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde (PubChem CID 43312967) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
PubChem CID43312967
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde
SMILESCN(c1ccc(F)cc1C=O)C1CC1
InChIInChI=1S/C11H12FNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-7,10H,3-4H2,1H3
InChIKeyBCRCCZBIQHXWLV-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde (CID 43312967) is 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde is CN(c1ccc(F)cc1C=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde?
The InChIKey is BCRCCZBIQHXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13(10-3-4-10)11-5-2-9(12)6-8(11)7-14/h2,5-7,10H,3-4H2,1H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde?
2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde has a molecular weight of 193.22 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-5-fluorobenzaldehyde is sourced from PubChem (CID 43312967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).