[3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol

C12H15ClFNO — CID 103041977

IUPAC[3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)c(Cl)c2)CCNC1
InChIInChI=1S/C12H15ClFNO/c13-10-5-9(1-2-11(10)14)6-12(8-16)3-4-15-7-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyPPIJUOUVMXAMAG-UHFFFAOYSA-N
MW243.71 g/mol
LogP1.99
Rot. Bonds3

About [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol

[3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 103041977) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
PubChem CID103041977
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name[3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol
SMILESOCC1(Cc2ccc(F)c(Cl)c2)CCNC1
InChIInChI=1S/C12H15ClFNO/c13-10-5-9(1-2-11(10)14)6-12(8-16)3-4-15-7-12/h1-2,5,15-16H,3-4,6-8H2
InChIKeyPPIJUOUVMXAMAG-UHFFFAOYSA-N
XLogP1.99
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

DS-7250
CID 18464794
{3-[(4-Fluorophenyl)methyl]pyrrolidin-3-yl}methanol
CID 66057548
(3-Benzylpyrrolidin-3-yl)methanol
CID 66059435
[3-(3-Chlorobenzyl)-3-piperidinyl]methanol hydrochloride
CID 56740964
rac-[(3R,4S)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol hydrochloride
CID 46736993
3-[(3-Chlorophenyl)methyl]pyrrolidin-3-ol hydrochloride
CID 71757733
(3-(3-Fluorophenyl)pyrrolidin-3-yl)methanol
CID 105449001
rac-((3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl)methanol hydrochloride
CID 122163804
[3-[(3-Chloro-4-fluorophenyl)methyl]oxolan-3-yl]methanamine
CID 103041031
1-[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]-N-methylmethanamine
CID 103041088
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]propan-1-amine
CID 103041090
N-[[3-[(3-chloro-4-fluorophenyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 103041093

Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol (CID 103041977) is [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is OCC1(Cc2ccc(F)c(Cl)c2)CCNC1.
What is the InChIKey of [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is PPIJUOUVMXAMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-5-9(1-2-11(10)14)6-12(8-16)3-4-15-7-12/h1-2,5,15-16H,3-4,6-8H2.
What are the key properties of [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol?
[3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 243.71 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 103041977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).