2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol

C11H13FN2O — CID 136609885

IUPAC2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol
SMILES[H]/N=C(/c1ccc(O)c(F)c1)N1CCCC1
InChIInChI=1S/C11H13FN2O/c12-9-7-8(3-4-10(9)15)11(13)14-5-1-2-6-14/h3-4,7,13,15H,1-2,5-6H2/b13-11-
InChIKeyQQGPTYPRZCAVLW-QBFSEMIESA-N
MW208.24 g/mol
LogP1.95
Rot. Bonds1

About 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol

2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol (PubChem CID 136609885) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol
PubChem CID136609885
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol
SMILES[H]/N=C(/c1ccc(O)c(F)c1)N1CCCC1
InChIInChI=1S/C11H13FN2O/c12-9-7-8(3-4-10(9)15)11(13)14-5-1-2-6-14/h3-4,7,13,15H,1-2,5-6H2/b13-11-
InChIKeyQQGPTYPRZCAVLW-QBFSEMIESA-N
XLogP1.95
TPSA47.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4,5-Dihydro-1H-imidazol-2-yl)phenol
CID 135417369
4-(1,4,5,6-Tetrahydro-2-pyrimidinyl)phenol
CID 135531460
4-(4-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenol
CID 135705205
4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
CID 704094
4-(Pyrrolidin-1-ylmethyl)phenol
CID 18771978
1-methyl-2-(4-hydroxyphenyl)-1H-imidazoline
CID 135675019
4-(Diaminomethylidene)-3-fluorocyclohexa-2,5-dien-1-one
CID 4076432
3-Fluoro-4-(pyrrolidin-1-ylmethyl)phenol
CID 58043090
3,5-Difluoro-4-(pyrrolidin-1-ylmethyl)phenol
CID 68618160
N-[2-(4-fluorophenyl)ethyl]-N-[1-(4-hydroxyphenyl)ethenyl]methanimidamide
CID 135248278
3-Fluoro-4-hydroxybenzimidamide
CID 135741546
N'-amino-2-fluoro-4-hydroxybenzenecarboximidamide
CID 136498276

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol?
The IUPAC name of 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol (CID 136609885) is 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol.
What is the SMILES notation for 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol?
The canonical SMILES for 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol is [H]/N=C(/c1ccc(O)c(F)c1)N1CCCC1.
What is the InChIKey of 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol?
The InChIKey is QQGPTYPRZCAVLW-QBFSEMIESA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-7-8(3-4-10(9)15)11(13)14-5-1-2-6-14/h3-4,7,13,15H,1-2,5-6H2/b13-11-.
What are the key properties of 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol?
2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol has a molecular weight of 208.24 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(pyrrolidine-1-carboximidoyl)phenol is sourced from PubChem (CID 136609885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).