2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene

C14H17FO2 — CID 134965036

IUPAC2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene
SMILESCOc1ccc(C2=CCCC[C@@H]2OC)cc1F
InChIInChI=1S/C14H17FO2/c1-16-13-6-4-3-5-11(13)10-7-8-14(17-2)12(15)9-10/h5,7-9,13H,3-4,6H2,1-2H3/t13-/m0/s1
InChIKeyPDFUWTIDDGUOCU-ZDUSSCGKSA-N
MW236.29 g/mol
LogP3.42
Rot. Bonds3

About 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene

2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene (PubChem CID 134965036) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene
PubChem CID134965036
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene
SMILESCOc1ccc(C2=CCCC[C@@H]2OC)cc1F
InChIInChI=1S/C14H17FO2/c1-16-13-6-4-3-5-11(13)10-7-8-14(17-2)12(15)9-10/h5,7-9,13H,3-4,6H2,1-2H3/t13-/m0/s1
InChIKeyPDFUWTIDDGUOCU-ZDUSSCGKSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene (CID 134965036) is 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene is COc1ccc(C2=CCCC[C@@H]2OC)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene?
The InChIKey is PDFUWTIDDGUOCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H17FO2/c1-16-13-6-4-3-5-11(13)10-7-8-14(17-2)12(15)9-10/h5,7-9,13H,3-4,6H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene?
2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene has a molecular weight of 236.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-[(6S)-6-methoxycyclohexen-1-yl]benzene is sourced from PubChem (CID 134965036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).