[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol

C11H14FNO — CID 57355768

IUPAC[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m1/s1
InChIKeyHOJIBLLFDVLDFW-MWLCHTKSSA-N
MW195.24 g/mol
LogP1.12
Rot. Bonds2

About [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol

[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol (PubChem CID 57355768) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol
PubChem CID57355768
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CNC[C@@H]1c1cccc(F)c1
InChIInChI=1S/C11H14FNO/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m1/s1
InChIKeyHOJIBLLFDVLDFW-MWLCHTKSSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol (CID 57355768) is [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol is OC[C@H]1CNC[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
The InChIKey is HOJIBLLFDVLDFW-MWLCHTKSSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-3-1-2-8(4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m1/s1.
What are the key properties of [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol?
[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol has a molecular weight of 195.24 g/mol, XLogP of 1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 57355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).