5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride

C12H15ClFNO — CID 68958919

IUPAC5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
SMILESCl.Fc1ccc2c(c1)CC1(CCNCC1)O2
InChIInChI=1S/C12H14FNO.ClH/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChIKeyXMDWHRZVIVRNIW-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.30
Rot. Bonds

About 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride

5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride (PubChem CID 68958919) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride.

Molecular Properties

Compound Name5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
PubChem CID68958919
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride
SMILESCl.Fc1ccc2c(c1)CC1(CCNCC1)O2
InChIInChI=1S/C12H14FNO.ClH/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H
InChIKeyXMDWHRZVIVRNIW-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663303
5-iodospiro[3H-1-benzofuran-2,4'-piperidine]
CID 13318076
5-methylspiro[3H-1-benzofuran-2,4'-piperidine]
CID 59833648
6-fluorospiro[4H-1,3-benzodioxine-2,4'-piperidine]
CID 11368068
6-fluorospiro[chromene-2,4'-piperidine];6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]
CID 162112541
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 114708516
6-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 82045746
5-ethylspiro[3H-1-benzofuran-2,3'-pyrrolidine]
CID 170003759
(4S)-7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-ol
CID 104951801
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
CID 82389200
6-(trifluoromethyl)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
CID 68663844
6-methylspiro[3,4-dihydrochromene-2,3'-pyrrolidine]
CID 82046008

Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride?
The IUPAC name of 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride (CID 68958919) is 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride.
What is the SMILES notation for 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride?
The canonical SMILES for 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride is Cl.Fc1ccc2c(c1)CC1(CCNCC1)O2.
What is the InChIKey of 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride?
The InChIKey is XMDWHRZVIVRNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO.ClH/c13-10-1-2-11-9(7-10)8-12(15-11)3-5-14-6-4-12;/h1-2,7,14H,3-6,8H2;1H.
What are the key properties of 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride?
5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride has a molecular weight of 243.71 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[3H-1-benzofuran-2,4'-piperidine];hydrochloride is sourced from PubChem (CID 68958919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).