(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane

C11H21FO2 — CID 166943978

IUPAC(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane
SMILESCCC1CC(OC)[C@H](OC)C(F)C1C
InChIInChI=1S/C11H21FO2/c1-5-8-6-9(13-3)11(14-4)10(12)7(8)2/h7-11H,5-6H2,1-4H3/t7?,8?,9?,10?,11-/m0/s1
InChIKeyOVPLPZPPAZXRLQ-FIJQTJJSSA-N
MW204.28 g/mol
LogP2.42
Rot. Bonds3

About (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane

(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane (PubChem CID 166943978) has the molecular formula C11H21FO2 and a molecular weight of 204.28 g/mol. Its IUPAC name is (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane.

Molecular Properties

Compound Name(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane
PubChem CID166943978
Molecular FormulaC11H21FO2
Molecular Weight204.28 g/mol
Exact Mass204.15
IUPAC Name(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane
SMILESCCC1CC(OC)[C@H](OC)C(F)C1C
InChIInChI=1S/C11H21FO2/c1-5-8-6-9(13-3)11(14-4)10(12)7(8)2/h7-11H,5-6H2,1-4H3/t7?,8?,9?,10?,11-/m0/s1
InChIKeyOVPLPZPPAZXRLQ-FIJQTJJSSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-3-methoxy-2,4-dimethylcyclopentane
CID 123552020
3-ethyl-2-methyl-5-phosphanyloxycyclopentan-1-ol
CID 20871303
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
ethane;1-ethyl-2,3-dimethylcyclobutane
CID 142059191
(1R,3S,4R)-3-fluoro-2-methoxy-1-(methoxymethyl)-4-methylcyclopentane
CID 163447568
1-ethyl-3-methoxy-2-(trifluoromethyl)cyclopentane
CID 173379726
trans-(1S,2S)-1-methoxy-2-methylcyclopropane
CID 176834458
5-ethyl-2,3,4-trimethylcyclohexan-1-amine
CID 144529983
1-fluoro-2-methoxycyclobutane
CID 166727939
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
1,5-diethyl-2,3-dimethylcyclohexane
CID 557905
1,3-diethyl-2,5-dimethylcycloheptane
CID 123338571

Frequently Asked Questions

What is the IUPAC name of (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane?
The IUPAC name of (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane (CID 166943978) is (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane.
What is the SMILES notation for (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane?
The canonical SMILES for (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane is CCC1CC(OC)[C@H](OC)C(F)C1C.
What is the InChIKey of (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane?
The InChIKey is OVPLPZPPAZXRLQ-FIJQTJJSSA-N. The full InChI is InChI=1S/C11H21FO2/c1-5-8-6-9(13-3)11(14-4)10(12)7(8)2/h7-11H,5-6H2,1-4H3/t7?,8?,9?,10?,11-/m0/s1.
What are the key properties of (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane?
(4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane has a molecular weight of 204.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-ethyl-3-fluoro-4,5-dimethoxy-2-methylcyclohexane is sourced from PubChem (CID 166943978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).