[4-(trifluoromethoxy)cyclohexyl]methanol

C8H13F3O2 — CID 130661210

IUPAC[4-(trifluoromethoxy)cyclohexyl]methanol
SMILESOCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2
InChIKeyJPAAGYKFUZGSPG-UHFFFAOYSA-N
MW198.18 g/mol
LogP2.07
Rot. Bonds2

About [4-(trifluoromethoxy)cyclohexyl]methanol

[4-(trifluoromethoxy)cyclohexyl]methanol (PubChem CID 130661210) has the molecular formula C8H13F3O2 and a molecular weight of 198.18 g/mol. Its IUPAC name is [4-(trifluoromethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethoxy)cyclohexyl]methanol
PubChem CID130661210
Molecular FormulaC8H13F3O2
Molecular Weight198.18 g/mol
Exact Mass198.09
IUPAC Name[4-(trifluoromethoxy)cyclohexyl]methanol
SMILESOCC1CCC(OC(F)(F)F)CC1
InChIInChI=1S/C8H13F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2
InChIKeyJPAAGYKFUZGSPG-UHFFFAOYSA-N
XLogP2.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethoxy)cyclohexyl]methanol?
The IUPAC name of [4-(trifluoromethoxy)cyclohexyl]methanol (CID 130661210) is [4-(trifluoromethoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(trifluoromethoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(trifluoromethoxy)cyclohexyl]methanol is OCC1CCC(OC(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethoxy)cyclohexyl]methanol?
The InChIKey is JPAAGYKFUZGSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h6-7,12H,1-5H2.
What are the key properties of [4-(trifluoromethoxy)cyclohexyl]methanol?
[4-(trifluoromethoxy)cyclohexyl]methanol has a molecular weight of 198.18 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethoxy)cyclohexyl]methanol is sourced from PubChem (CID 130661210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).