(4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

C14H13BrFNO — CID 172744628

IUPAC(4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCC1Cc2oc(Br)cc2[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C14H13BrFNO/c1-8-6-12-11(7-13(15)18-12)14(17-8)9-2-4-10(16)5-3-9/h2-5,7-8,14,17H,6H2,1H3/t8?,14-/m0/s1
InChIKeyJOCBNTYNHYOFEI-OMXDBJJSSA-N
MW310.17 g/mol
LogP3.80
Rot. Bonds1

About (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine

(4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (PubChem CID 172744628) has the molecular formula C14H13BrFNO and a molecular weight of 310.17 g/mol. Its IUPAC name is (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name(4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
PubChem CID172744628
Molecular FormulaC14H13BrFNO
Molecular Weight310.17 g/mol
Exact Mass309.02
IUPAC Name(4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine
SMILESCC1Cc2oc(Br)cc2[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C14H13BrFNO/c1-8-6-12-11(7-13(15)18-12)14(17-8)9-2-4-10(16)5-3-9/h2-5,7-8,14,17H,6H2,1H3/t8?,14-/m0/s1
InChIKeyJOCBNTYNHYOFEI-OMXDBJJSSA-N
XLogP3.80
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The IUPAC name of (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine (CID 172744628) is (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine.
What is the SMILES notation for (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The canonical SMILES for (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is CC1Cc2oc(Br)cc2[C@H](c2ccc(F)cc2)N1.
What is the InChIKey of (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
The InChIKey is JOCBNTYNHYOFEI-OMXDBJJSSA-N. The full InChI is InChI=1S/C14H13BrFNO/c1-8-6-12-11(7-13(15)18-12)14(17-8)9-2-4-10(16)5-3-9/h2-5,7-8,14,17H,6H2,1H3/t8?,14-/m0/s1.
What are the key properties of (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine?
(4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine has a molecular weight of 310.17 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-bromo-4-(4-fluorophenyl)-6-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine is sourced from PubChem (CID 172744628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).