5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]

C13H14ClFO — CID 59833646

IUPAC5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]
SMILESFC1CCCCC12Cc1cc(Cl)ccc1O2
InChIInChI=1S/C13H14ClFO/c14-10-4-5-11-9(7-10)8-13(16-11)6-2-1-3-12(13)15/h4-5,7,12H,1-3,6,8H2
InChIKeyQMFFLNWQPFGNRF-UHFFFAOYSA-N
MW240.70 g/mol
LogP3.93
Rot. Bonds

About 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]

5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane] (PubChem CID 59833646) has the molecular formula C13H14ClFO and a molecular weight of 240.70 g/mol. Its IUPAC name is 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane].

Molecular Properties

Compound Name5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]
PubChem CID59833646
Molecular FormulaC13H14ClFO
Molecular Weight240.70 g/mol
Exact Mass240.07
IUPAC Name5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]
SMILESFC1CCCCC12Cc1cc(Cl)ccc1O2
InChIInChI=1S/C13H14ClFO/c14-10-4-5-11-9(7-10)8-13(16-11)6-2-1-3-12(13)15/h4-5,7,12H,1-3,6,8H2
InChIKeyQMFFLNWQPFGNRF-UHFFFAOYSA-N
XLogP3.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.70
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]?
The IUPAC name of 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane] (CID 59833646) is 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane].
What is the SMILES notation for 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]?
The canonical SMILES for 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane] is FC1CCCCC12Cc1cc(Cl)ccc1O2.
What is the InChIKey of 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]?
The InChIKey is QMFFLNWQPFGNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFO/c14-10-4-5-11-9(7-10)8-13(16-11)6-2-1-3-12(13)15/h4-5,7,12H,1-3,6,8H2.
What are the key properties of 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane]?
5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane] has a molecular weight of 240.70 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2'-fluorospiro[3H-1-benzofuran-2,1'-cyclohexane] is sourced from PubChem (CID 59833646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).