(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol

C12H16FNO — CID 126787911

IUPAC(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
SMILESCC(c1ccc(F)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C12H16FNO/c1-9(14-7-6-12(15)8-14)10-2-4-11(13)5-3-10/h2-5,9,12,15H,6-8H2,1H3/t9?,12-/m0/s1
InChIKeySACQWVKEYOOHKN-ACGXKRRESA-N
MW209.26 g/mol
LogP1.95
Rot. Bonds2

About (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol

(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol (PubChem CID 126787911) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
PubChem CID126787911
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol
SMILESCC(c1ccc(F)cc1)N1CC[C@H](O)C1
InChIInChI=1S/C12H16FNO/c1-9(14-7-6-12(15)8-14)10-2-4-11(13)5-3-10/h2-5,9,12,15H,6-8H2,1H3/t9?,12-/m0/s1
InChIKeySACQWVKEYOOHKN-ACGXKRRESA-N
XLogP1.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
CID 69382807
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
1-[1-(4-fluorophenyl)ethyl]-3-methylpiperidin-4-amine
CID 54975955
N-[1-(4-fluorophenyl)ethyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332568
1-[2-amino-1-(4-fluorophenyl)propyl]piperidin-3-ol
CID 55016863
(3S)-1-[(1S)-1-(4-fluorophenyl)ethyl]-3-methylpiperazine
CID 96801118
2,2-bis(4-fluorophenyl)-N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbutyl]-N-methylacetamide
CID 57141649
1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-3-ol
CID 47704692
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
1-[1-(2,5-difluorophenyl)ethyl]piperidin-3-ol
CID 110900453
1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019990
1-[1-(2,4-difluorophenyl)ethyl]piperidin-4-ol
CID 110901948

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol (CID 126787911) is (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol is CC(c1ccc(F)cc1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol?
The InChIKey is SACQWVKEYOOHKN-ACGXKRRESA-N. The full InChI is InChI=1S/C12H16FNO/c1-9(14-7-6-12(15)8-14)10-2-4-11(13)5-3-10/h2-5,9,12,15H,6-8H2,1H3/t9?,12-/m0/s1.
What are the key properties of (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol?
(3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol has a molecular weight of 209.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[1-(4-fluorophenyl)ethyl]pyrrolidin-3-ol is sourced from PubChem (CID 126787911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).