[4-(cyclopropylamino)-2-fluorophenyl]methanol

C10H12FNO — CID 126652109

IUPAC[4-(cyclopropylamino)-2-fluorophenyl]methanol
SMILESOCc1ccc(NC2CC2)cc1F
InChIInChI=1S/C10H12FNO/c11-10-5-9(12-8-3-4-8)2-1-7(10)6-13/h1-2,5,8,12-13H,3-4,6H2
InChIKeyFRQIZVPJUGPMER-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.89
Rot. Bonds3

About [4-(cyclopropylamino)-2-fluorophenyl]methanol

[4-(cyclopropylamino)-2-fluorophenyl]methanol (PubChem CID 126652109) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is [4-(cyclopropylamino)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[4-(cyclopropylamino)-2-fluorophenyl]methanol
PubChem CID126652109
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name[4-(cyclopropylamino)-2-fluorophenyl]methanol
SMILESOCc1ccc(NC2CC2)cc1F
InChIInChI=1S/C10H12FNO/c11-10-5-9(12-8-3-4-8)2-1-7(10)6-13/h1-2,5,8,12-13H,3-4,6H2
InChIKeyFRQIZVPJUGPMER-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylamino)-2-fluorophenyl]methanol?
The IUPAC name of [4-(cyclopropylamino)-2-fluorophenyl]methanol (CID 126652109) is [4-(cyclopropylamino)-2-fluorophenyl]methanol.
What is the SMILES notation for [4-(cyclopropylamino)-2-fluorophenyl]methanol?
The canonical SMILES for [4-(cyclopropylamino)-2-fluorophenyl]methanol is OCc1ccc(NC2CC2)cc1F.
What is the InChIKey of [4-(cyclopropylamino)-2-fluorophenyl]methanol?
The InChIKey is FRQIZVPJUGPMER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-10-5-9(12-8-3-4-8)2-1-7(10)6-13/h1-2,5,8,12-13H,3-4,6H2.
What are the key properties of [4-(cyclopropylamino)-2-fluorophenyl]methanol?
[4-(cyclopropylamino)-2-fluorophenyl]methanol has a molecular weight of 181.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylamino)-2-fluorophenyl]methanol is sourced from PubChem (CID 126652109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).