(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol

C14H18BrF2NO — CID 169239690

IUPAC(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol
SMILESOC(c1ccc(Br)cc1F)C1CCN(CCCF)C1
InChIInChI=1S/C14H18BrF2NO/c15-11-2-3-12(13(17)8-11)14(19)10-4-7-18(9-10)6-1-5-16/h2-3,8,10,14,19H,1,4-7,9H2
InChIKeyGWRGSUXVMNTHSM-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.30
Rot. Bonds5

About (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol

(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol (PubChem CID 169239690) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol
PubChem CID169239690
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol
SMILESOC(c1ccc(Br)cc1F)C1CCN(CCCF)C1
InChIInChI=1S/C14H18BrF2NO/c15-11-2-3-12(13(17)8-11)14(19)10-4-7-18(9-10)6-1-5-16/h2-3,8,10,14,19H,1,4-7,9H2
InChIKeyGWRGSUXVMNTHSM-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(4-bromo-2-fluorophenyl)-cyclopentylmethanol
CID 96691275
(R)-(4-bromo-2-fluorophenyl)-cyclohexylmethanol
CID 97027176
1-(4-bromo-2-fluorophenyl)hexan-1-ol
CID 65148094
1-(4-bromo-2-fluorophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]ethanamine
CID 82964845
(3S)-3-[(4-bromophenyl)-difluoromethyl]-1-(3-fluoropropyl)pyrrolidine
CID 170189794
3-[2-(4-bromophenyl)ethyl]-1-(3-fluoropropyl)pyrrolidine
CID 163585810
1-(4-bromo-2-fluorophenyl)ethane-1,2-diol
CID 82713520
3-(1,3,3a,4-tetrahydroisoindol-2-yl)-1-(4-bromo-2-fluorophenyl)propan-1-ol
CID 70060867
(R)-(4-bromo-2-fluorophenyl)-cyclopropylmethanamine
CID 130968166
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948
1-[1-[1-(4-bromo-2-fluorophenyl)ethyl]piperidin-3-yl]ethanamine
CID 82970687
2-(4-bromo-2-fluorophenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 43364603

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol (CID 169239690) is (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol is OC(c1ccc(Br)cc1F)C1CCN(CCCF)C1.
What is the InChIKey of (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol?
The InChIKey is GWRGSUXVMNTHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c15-11-2-3-12(13(17)8-11)14(19)10-4-7-18(9-10)6-1-5-16/h2-3,8,10,14,19H,1,4-7,9H2.
What are the key properties of (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol?
(4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol has a molecular weight of 334.20 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-[1-(3-fluoropropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 169239690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).