[3-(3-fluorophenyl)pyrrolidin-3-yl]methanol

C11H14FNO — CID 105449001

IUPAC[3-(3-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1(c2cccc(F)c2)CCNC1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)11(8-14)4-5-13-7-11/h1-3,6,13-14H,4-5,7-8H2
InChIKeyKVLAHVJAVCGENK-UHFFFAOYSA-N
MW195.24 g/mol
LogP1.05
Rot. Bonds2

About [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol

[3-(3-fluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 105449001) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(3-fluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID105449001
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name[3-(3-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOCC1(c2cccc(F)c2)CCNC1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)11(8-14)4-5-13-7-11/h1-3,6,13-14H,4-5,7-8H2
InChIKeyKVLAHVJAVCGENK-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol (CID 105449001) is [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol is OCC1(c2cccc(F)c2)CCNC1.
What is the InChIKey of [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is KVLAHVJAVCGENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-3-1-2-9(6-10)11(8-14)4-5-13-7-11/h1-3,6,13-14H,4-5,7-8H2.
What are the key properties of [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
[3-(3-fluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 195.24 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 105449001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).