(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane

C10H17F3 — CID 146632246

IUPAC(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
SMILESCC(C)C1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-7(2)8-4-3-5-9(6-8)10(11,12)13/h7-9H,3-6H2,1-2H3/t8?,9-/m0/s1
InChIKeyMSYOBUIIBJAFRS-GKAPJAKFSA-N
MW194.24 g/mol
LogP4.01
Rot. Bonds1

About (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane

(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane (PubChem CID 146632246) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
PubChem CID146632246
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
SMILESCC(C)C1CCC[C@H](C(F)(F)F)C1
InChIInChI=1S/C10H17F3/c1-7(2)8-4-3-5-9(6-8)10(11,12)13/h7-9H,3-6H2,1-2H3/t8?,9-/m0/s1
InChIKeyMSYOBUIIBJAFRS-GKAPJAKFSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-bromoethyl)-3-(trifluoromethyl)cyclohexane
CID 66471870
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
2-[3-(trifluoromethyl)cyclohexyl]propanedioic acid
CID 22715203
N,5-dimethyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105177137
3-methyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-en-1-amine
CID 105163124
[(3-methylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313580
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280
1-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547
N-ethyl-3-methyl-1-[3-(trifluoromethyl)cyclohexyl]hexan-1-amine
CID 105138060
oxan-4-yl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105147261

Frequently Asked Questions

What is the IUPAC name of (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane?
The IUPAC name of (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane (CID 146632246) is (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane.
What is the SMILES notation for (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane?
The canonical SMILES for (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane is CC(C)C1CCC[C@H](C(F)(F)F)C1.
What is the InChIKey of (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane?
The InChIKey is MSYOBUIIBJAFRS-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H17F3/c1-7(2)8-4-3-5-9(6-8)10(11,12)13/h7-9H,3-6H2,1-2H3/t8?,9-/m0/s1.
What are the key properties of (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane?
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane has a molecular weight of 194.24 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 146632246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).