(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane

C9H15F3 — CID 135256943

IUPAC(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
SMILESCCC1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H15F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyBRJGAHMPZABMKR-MQWKRIRWSA-N
MW180.21 g/mol
LogP3.77
Rot. Bonds1

About (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane

(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane (PubChem CID 135256943) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
PubChem CID135256943
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
SMILESCCC1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H15F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h7-8H,2-6H2,1H3/t7?,8-/m0/s1
InChIKeyBRJGAHMPZABMKR-MQWKRIRWSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-(trifluoromethyl)cyclobutane
CID 149336016
(2-ethylcyclohexyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105151227
1-ethyl-2-[2-(2-ethylcyclohexyl)propan-2-yl]cyclohexane
CID 154060366
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
CID 170910314
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
CID 11138028
3-(2-ethylcyclohexyl)pentan-3-amine
CID 63861274
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
1-(isocyanomethyl)-2-(trifluoromethyl)cyclohexane
CID 84771786
CID 160611346
CID 160611346
1-cyclopropyl-1-(2-ethylcyclohexyl)ethanol
CID 63863435

Frequently Asked Questions

What is the IUPAC name of (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane?
The IUPAC name of (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane (CID 135256943) is (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane is CCC1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane?
The InChIKey is BRJGAHMPZABMKR-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15F3/c1-2-7-5-3-4-6-8(7)9(10,11)12/h7-8H,2-6H2,1H3/t7?,8-/m0/s1.
What are the key properties of (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane?
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane has a molecular weight of 180.21 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-ethyl-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 135256943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).