2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol

C11H14FNO — CID 68619301

IUPAC2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
SMILESOc1cccc(CN2CCCC2)c1F
InChIInChI=1S/C11H14FNO/c12-11-9(4-3-5-10(11)14)8-13-6-1-2-7-13/h3-5,14H,1-2,6-8H2
InChIKeyDGONSCRMQNHMQB-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.13
Rot. Bonds2

About 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol

2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol (PubChem CID 68619301) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol.

Molecular Properties

Compound Name2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
PubChem CID68619301
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol
SMILESOc1cccc(CN2CCCC2)c1F
InChIInChI=1S/C11H14FNO/c12-11-9(4-3-5-10(11)14)8-13-6-1-2-7-13/h3-5,14H,1-2,6-8H2
InChIKeyDGONSCRMQNHMQB-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
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2-chloro-3-[[4-(2,2-difluoroethyl)-1,4-diazepan-1-yl]methyl]phenol
CID 167865449
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
CID 163328098
(1S,3R)-7-[(3-chloro-2-fluorophenyl)methyl]-7-azaspiro[3.5]nonane-1,3-diol
CID 70788381
1-[(2,3-difluorophenyl)methyl]-4-pyrrolidin-1-ylsulfonylpiperazine
CID 47023387
2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetic acid
CID 59166357
1-[(2,3-dichlorophenyl)methyl]azetidine
CID 131042479
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
CID 171701593
4-fluoro-2-[[4-[(5-fluoro-2-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]methyl]phenol
CID 102417416

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol?
The IUPAC name of 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol (CID 68619301) is 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol.
What is the SMILES notation for 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol?
The canonical SMILES for 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol is Oc1cccc(CN2CCCC2)c1F.
What is the InChIKey of 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol?
The InChIKey is DGONSCRMQNHMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-11-9(4-3-5-10(11)14)8-13-6-1-2-7-13/h3-5,14H,1-2,6-8H2.
What are the key properties of 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol?
2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol has a molecular weight of 195.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(pyrrolidin-1-ylmethyl)phenol is sourced from PubChem (CID 68619301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).