(6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene

C13H17FO — CID 152885159

IUPAC(6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene
SMILESCOC1=C[C@H]([C@@H]2C=C(F)C=CC2)CCC1
InChIInChI=1S/C13H17FO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,6,8-11H,3-5,7H2,1H3/t10-,11+/m0/s1
InChIKeyUCGFRDQQZYVUJU-WDEREUQCSA-N
MW208.28 g/mol
LogP3.75
Rot. Bonds2

About (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene

(6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene (PubChem CID 152885159) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name(6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene
PubChem CID152885159
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name(6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene
SMILESCOC1=C[C@H]([C@@H]2C=C(F)C=CC2)CCC1
InChIInChI=1S/C13H17FO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,6,8-11H,3-5,7H2,1H3/t10-,11+/m0/s1
InChIKeyUCGFRDQQZYVUJU-WDEREUQCSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene?
The IUPAC name of (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene (CID 152885159) is (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene.
What is the SMILES notation for (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene?
The canonical SMILES for (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene is COC1=C[C@H]([C@@H]2C=C(F)C=CC2)CCC1.
What is the InChIKey of (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene?
The InChIKey is UCGFRDQQZYVUJU-WDEREUQCSA-N. The full InChI is InChI=1S/C13H17FO/c1-15-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2,6,8-11H,3-5,7H2,1H3/t10-,11+/m0/s1.
What are the key properties of (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene?
(6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene has a molecular weight of 208.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-fluoro-6-[(1S)-3-methoxycyclohex-2-en-1-yl]cyclohexa-1,3-diene is sourced from PubChem (CID 152885159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).