N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide

C11H12FNO2 — CID 146409061

IUPACN-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide
SMILESCC1(NC=O)CCOc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-11(13-7-14)4-5-15-10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3,(H,13,14)
InChIKeyCXPLEKKXSJOCSD-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.57
Rot. Bonds2

About N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide

N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide (PubChem CID 146409061) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide.

Molecular Properties

Compound NameN-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide
PubChem CID146409061
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC NameN-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide
SMILESCC1(NC=O)CCOc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-11(13-7-14)4-5-15-10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3,(H,13,14)
InChIKeyCXPLEKKXSJOCSD-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
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 N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide?
The IUPAC name of N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide (CID 146409061) is N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide.
What is the SMILES notation for N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide?
The canonical SMILES for N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide is CC1(NC=O)CCOc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide?
The InChIKey is CXPLEKKXSJOCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-11(13-7-14)4-5-15-10-3-2-8(12)6-9(10)11/h2-3,6-7H,4-5H2,1H3,(H,13,14).
What are the key properties of N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide?
N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide has a molecular weight of 209.22 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-4-methyl-2,3-dihydrochromen-4-yl)formamide is sourced from PubChem (CID 146409061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).