(4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene

C10H17FO — CID 163977005

IUPAC(4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene
SMILESCC[C@H]1CC(C)=C(F)C[C@H]1OC
InChIInChI=1S/C10H17FO/c1-4-8-5-7(2)9(11)6-10(8)12-3/h8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeySVAWSEJPJFYRHO-WCBMZHEXSA-N
MW172.24 g/mol
LogP3.06
Rot. Bonds2

About (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene

(4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene (PubChem CID 163977005) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene.

Molecular Properties

Compound Name(4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene
PubChem CID163977005
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene
SMILESCC[C@H]1CC(C)=C(F)C[C@H]1OC
InChIInChI=1S/C10H17FO/c1-4-8-5-7(2)9(11)6-10(8)12-3/h8,10H,4-6H2,1-3H3/t8-,10+/m0/s1
InChIKeySVAWSEJPJFYRHO-WCBMZHEXSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 567148
(2s,3s)-2,6-Diethyl-3,5-dimethyl-3,4-dihydro-2h-pyran
CID 91701224
6-Ethenyl-4-fluoro-5-methoxy-1-methylcyclohexene
CID 66806771
1-(3-Fluoro-2,6-dimethylcyclohex-2-en-1-yl)ethanol
CID 122496239
6-Fluoro-4-methoxy-1,3-dimethylcyclohexene
CID 143814175
1-Ethyl-4-fluoro-6-(methoxymethyl)cyclohexene
CID 169852499
4-Methoxy-5-methyl-1-(trifluoromethyl)cyclohexene
CID 162576438
(2S)-2,6-diethyl-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 13066784
4-Methoxy-1,5-dimethylcyclohexene
CID 13359360
4-Methoxy-1,3,5-trimethylcyclohexene
CID 14113139
(Z,5S)-6-methoxy-2,3,4,5,7-pentamethyloct-3-ene
CID 53901691
(3S,5R)-5-methoxy-1,2,3-trimethylcyclohexene
CID 89416116

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene?
The IUPAC name of (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene (CID 163977005) is (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene.
What is the SMILES notation for (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene?
The canonical SMILES for (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene is CC[C@H]1CC(C)=C(F)C[C@H]1OC.
What is the InChIKey of (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene?
The InChIKey is SVAWSEJPJFYRHO-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H17FO/c1-4-8-5-7(2)9(11)6-10(8)12-3/h8,10H,4-6H2,1-3H3/t8-,10+/m0/s1.
What are the key properties of (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene?
(4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene has a molecular weight of 172.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-ethyl-1-fluoro-5-methoxy-2-methylcyclohexene is sourced from PubChem (CID 163977005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).