trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane

C15H26F2 — CID 170210300

IUPACtrans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane
SMILESCC[C@H]1CCC(CC2CCCC[C@@H]2F)C[C@H]1F
InChIInChI=1S/C15H26F2/c1-2-12-8-7-11(10-15(12)17)9-13-5-3-4-6-14(13)16/h11-15H,2-10H2,1H3/t11?,12-,13?,14-,15+/m0/s1
InChIKeyUGQCYTHVSMBEQI-NNVWEFMASA-N
MW244.37 g/mol
LogP5.07
Rot. Bonds3

About trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane

trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane (PubChem CID 170210300) has the molecular formula C15H26F2 and a molecular weight of 244.37 g/mol. Its IUPAC name is trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane
PubChem CID170210300
Molecular FormulaC15H26F2
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Nametrans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane
SMILESCC[C@H]1CCC(CC2CCCC[C@@H]2F)C[C@H]1F
InChIInChI=1S/C15H26F2/c1-2-12-8-7-11(10-15(12)17)9-13-5-3-4-6-14(13)16/h11-15H,2-10H2,1H3/t11?,12-,13?,14-,15+/m0/s1
InChIKeyUGQCYTHVSMBEQI-NNVWEFMASA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.37
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-ethyl-6-fluorocyclohexan-1-amine
CID 123869447
1-cyclopentyl-4-[(2-ethylcyclobutyl)methyl]cyclohexane
CID 165014149
1-[(3-cyclohexylcyclopentyl)methyl]-3-ethyl-2-methylcyclohexane
CID 143599069
CID 160611346
CID 160611346
1,3,6-triethyl-2-methylcyclononane
CID 58552764
(2-fluorocyclohexyl)methanesulfonic acid
CID 87155584
(2-fluorocyclohexyl)methanesulfonyl chloride
CID 84734884
4-ethyl-1,2-difluorocyclopentane
CID 76762029
1-(4-ethylcyclohexyl)-2,3-difluoro-4-[4-[2-(3-fluoro-4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexane
CID 90437373
trans-(1R,2R)-1,2-diethylcyclobutane
CID 59110889
ethylcyclooctane;fluoromethane
CID 174962953
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane?
The IUPAC name of trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane (CID 170210300) is trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane.
What is the SMILES notation for trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane?
The canonical SMILES for trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane is CC[C@H]1CCC(CC2CCCC[C@@H]2F)C[C@H]1F.
What is the InChIKey of trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane?
The InChIKey is UGQCYTHVSMBEQI-NNVWEFMASA-N. The full InChI is InChI=1S/C15H26F2/c1-2-12-8-7-11(10-15(12)17)9-13-5-3-4-6-14(13)16/h11-15H,2-10H2,1H3/t11?,12-,13?,14-,15+/m0/s1.
What are the key properties of trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane?
trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane has a molecular weight of 244.37 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-ethyl-2-fluoro-4-[[(2S)-2-fluorocyclohexyl]methyl]cyclohexane is sourced from PubChem (CID 170210300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).