1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane

C10H17F3O — CID 66615275

IUPAC1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane
SMILESCC(C)OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyVWXHCEUSIFGEKU-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.53
Rot. Bonds2

About 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane

1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane (PubChem CID 66615275) has the molecular formula C10H17F3O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane
PubChem CID66615275
Molecular FormulaC10H17F3O
Molecular Weight210.24 g/mol
Exact Mass210.12
IUPAC Name1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane
SMILESCC(C)OC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H17F3O/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h7-9H,3-6H2,1-2H3
InChIKeyVWXHCEUSIFGEKU-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-4-methylcyclohexane
CID 6336264
1-[Ethoxy(difluoro)methyl]-4-methylcyclohexane
CID 11805558
1-Methyl-4-(4-methylcyclohexyl)oxycyclohexane
CID 23565647
1-Methyl-1-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638554
1-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1-methylcyclohexane
CID 21638555
cis-(1R,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638556
trans-(1S,3S)-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 21638557
1-Methyl-3-(2,2,2-trifluoroethoxy)cyclohexane
CID 73818635
3-(2,2,2-Trifluoroethoxy)propylcyclohexane
CID 121221077
1-Methoxy-4-methyl-d3-benzene
CID 139701
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane (CID 66615275) is 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane is CC(C)OC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane?
The InChIKey is VWXHCEUSIFGEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O/c1-7(2)14-9-5-3-8(4-6-9)10(11,12)13/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane?
1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane has a molecular weight of 210.24 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yloxy-4-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 66615275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).