[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol

C8H13FO2 — CID 163515887

IUPAC[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol
SMILESCO[C@@H]1CC[C@H](F)C=C1CO
InChIInChI=1S/C8H13FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h4,7-8,10H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKeyDGRLQMUJHOJTLC-JGVFFNPUSA-N
MW160.19 g/mol
LogP1.05
Rot. Bonds2

About [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol

[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol (PubChem CID 163515887) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol
PubChem CID163515887
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol
SMILESCO[C@@H]1CC[C@H](F)C=C1CO
InChIInChI=1S/C8H13FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h4,7-8,10H,2-3,5H2,1H3/t7-,8+/m0/s1
InChIKeyDGRLQMUJHOJTLC-JGVFFNPUSA-N
XLogP1.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Methyl-2-methylene-6-octene-1,3,8-triol
CID 131752432
[(6E,10Z,14E,15aS)-6,10,14-trimethyl-2,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-3-yl]methanol
CID 24950833
2-[(2R,5Z,6E)-6-ethylidene-5-(2-fluoroethylidene)oxan-2-yl]ethanol
CID 88052027
(Z,1S)-1-[(4R)-4-fluorocyclohexen-1-yl]but-2-en-1-ol
CID 89416544
4-Fluoro-3-methylcyclohex-2-en-1-ol
CID 91524533
(1R,2E,5R)-2-ethylidene-5-fluoro-1-(3-fluorocyclohexen-1-yl)hexan-1-ol
CID 163560360
(1R)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
CID 16726220
(1S)-3-[(4S)-4-hydroxypentyl]cyclohex-2-en-1-ol
CID 16726221
2-(Hydroxymethyl)cyclohex-2-en-1-ol
CID 100975395
(6E)-6-methyl-2-methylideneoct-6-ene-1,3,8-triol
CID 101412556
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210255
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-ol
CID 103210256

Frequently Asked Questions

What is the IUPAC name of [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol?
The IUPAC name of [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol (CID 163515887) is [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol.
What is the SMILES notation for [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol?
The canonical SMILES for [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol is CO[C@@H]1CC[C@H](F)C=C1CO.
What is the InChIKey of [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol?
The InChIKey is DGRLQMUJHOJTLC-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h4,7-8,10H,2-3,5H2,1H3/t7-,8+/m0/s1.
What are the key properties of [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol?
[(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol has a molecular weight of 160.19 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,6R)-3-fluoro-6-methoxycyclohexen-1-yl]methanol is sourced from PubChem (CID 163515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).