(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane

C9H14F4 — CID 143342608

IUPAC(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane
SMILESCCC1CCC(F)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H14F4/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h6-8H,2-5H2,1H3/t6?,7-,8?/m0/s1
InChIKeyWTZMKFYCJOLCBJ-WTIBDHCWSA-N
MW198.20 g/mol
LogP3.71
Rot. Bonds1

About (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane

(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane (PubChem CID 143342608) has the molecular formula C9H14F4 and a molecular weight of 198.20 g/mol. Its IUPAC name is (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane
PubChem CID143342608
Molecular FormulaC9H14F4
Molecular Weight198.20 g/mol
Exact Mass198.10
IUPAC Name(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane
SMILESCCC1CCC(F)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C9H14F4/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h6-8H,2-5H2,1H3/t6?,7-,8?/m0/s1
InChIKeyWTZMKFYCJOLCBJ-WTIBDHCWSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane?
The IUPAC name of (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane (CID 143342608) is (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane.
What is the SMILES notation for (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane?
The canonical SMILES for (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane is CCC1CCC(F)[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane?
The InChIKey is WTZMKFYCJOLCBJ-WTIBDHCWSA-N. The full InChI is InChI=1S/C9H14F4/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h6-8H,2-5H2,1H3/t6?,7-,8?/m0/s1.
What are the key properties of (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane?
(2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane has a molecular weight of 198.20 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-ethyl-1-fluoro-2-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 143342608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).