trans-(1R,2R)-1-fluoro-2-methoxycyclohexane

C7H13FO — CID 12700789

IUPACtrans-(1R,2R)-1-fluoro-2-methoxycyclohexane
SMILESCO[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyZVARKDFRCWVEBF-RNFRBKRXSA-N
MW132.18 g/mol
LogP1.91
Rot. Bonds1

About trans-(1R,2R)-1-fluoro-2-methoxycyclohexane

trans-(1R,2R)-1-fluoro-2-methoxycyclohexane (PubChem CID 12700789) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is trans-(1R,2R)-1-fluoro-2-methoxycyclohexane.

Molecular Properties

Compound Nametrans-(1R,2R)-1-fluoro-2-methoxycyclohexane
PubChem CID12700789
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Nametrans-(1R,2R)-1-fluoro-2-methoxycyclohexane
SMILESCO[C@@H]1CCCC[C@H]1F
InChIInChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyZVARKDFRCWVEBF-RNFRBKRXSA-N
XLogP1.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexyl methyl ether
CID 13607
1-(Trifluoromethoxy)cyclohexane
CID 44195355
2-Fluoro-6-methyltetra-hydropyran
CID 129723562
1,1-Difluoro-2-methoxycyclohexane
CID 14092089
cis-(1R,2S)-1-fluoro-2-methoxycyclohexane
CID 101665102
trans-(1S,2S)-1-fluoro-2-methoxycyclohexane
CID 101993893
(2S,6R)-4-fluoro-2,6-dimethyloxane
CID 134838970
3-Fluoro-2-methyloxane
CID 134863991
chloro-[(1R,2S)-2-methoxycyclohexyl]mercury
CID 12476318
1-Fluoro-2-methoxycyclohexane
CID 12700788
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
2-(Fluoromethoxy)hexane
CID 20614891

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-fluoro-2-methoxycyclohexane?
The IUPAC name of trans-(1R,2R)-1-fluoro-2-methoxycyclohexane (CID 12700789) is trans-(1R,2R)-1-fluoro-2-methoxycyclohexane.
What is the SMILES notation for trans-(1R,2R)-1-fluoro-2-methoxycyclohexane?
The canonical SMILES for trans-(1R,2R)-1-fluoro-2-methoxycyclohexane is CO[C@@H]1CCCC[C@H]1F.
What is the InChIKey of trans-(1R,2R)-1-fluoro-2-methoxycyclohexane?
The InChIKey is ZVARKDFRCWVEBF-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H13FO/c1-9-7-5-3-2-4-6(7)8/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-1-fluoro-2-methoxycyclohexane?
trans-(1R,2R)-1-fluoro-2-methoxycyclohexane has a molecular weight of 132.18 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-fluoro-2-methoxycyclohexane is sourced from PubChem (CID 12700789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).