N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide

C12H16FNO — CID 143561572

IUPACN-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide
SMILESCC(CCF)c1ccc(CNC=O)cc1
InChIInChI=1S/C12H16FNO/c1-10(6-7-13)12-4-2-11(3-5-12)8-14-9-15/h2-5,9-10H,6-8H2,1H3,(H,14,15)
InChIKeyCHWPIOGNEBNKKF-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.40
Rot. Bonds6

About N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide

N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide (PubChem CID 143561572) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide
PubChem CID143561572
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide
SMILESCC(CCF)c1ccc(CNC=O)cc1
InChIInChI=1S/C12H16FNO/c1-10(6-7-13)12-4-2-11(3-5-12)8-14-9-15/h2-5,9-10H,6-8H2,1H3,(H,14,15)
InChIKeyCHWPIOGNEBNKKF-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide?
The IUPAC name of N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide (CID 143561572) is N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide.
What is the SMILES notation for N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide?
The canonical SMILES for N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide is CC(CCF)c1ccc(CNC=O)cc1.
What is the InChIKey of N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide?
The InChIKey is CHWPIOGNEBNKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-10(6-7-13)12-4-2-11(3-5-12)8-14-9-15/h2-5,9-10H,6-8H2,1H3,(H,14,15).
What are the key properties of N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide?
N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide has a molecular weight of 209.26 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorobutan-2-yl)phenyl]methyl]formamide is sourced from PubChem (CID 143561572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).