ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol

C11H21F3O2 — CID 144742206

IUPACethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCC.COC1(C(F)(F)F)CCC(CO)CC1
InChIInChI=1S/C9H15F3O2.C2H6/c1-14-8(9(10,11)12)4-2-7(6-13)3-5-8;1-2/h7,13H,2-6H2,1H3;1-2H3
InChIKeyANOVBYBBDAJFDX-UHFFFAOYSA-N
MW242.28 g/mol
LogP3.14
Rot. Bonds2

About ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol

ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 144742206) has the molecular formula C11H21F3O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Nameethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID144742206
Molecular FormulaC11H21F3O2
Molecular Weight242.28 g/mol
Exact Mass242.15
IUPAC Nameethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol
SMILESCC.COC1(C(F)(F)F)CCC(CO)CC1
InChIInChI=1S/C9H15F3O2.C2H6/c1-14-8(9(10,11)12)4-2-7(6-13)3-5-8;1-2/h7,13H,2-6H2,1H3;1-2H3
InChIKeyANOVBYBBDAJFDX-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol (CID 144742206) is ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol is CC.COC1(C(F)(F)F)CCC(CO)CC1.
What is the InChIKey of ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ANOVBYBBDAJFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2.C2H6/c1-14-8(9(10,11)12)4-2-7(6-13)3-5-8;1-2/h7,13H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol?
ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 242.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-methoxy-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 144742206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).