4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol

C12H21F3O2 — CID 66277431

IUPAC4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(OC(C)C(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-3-4-9-5-6-10(16)11(7-9)17-8(2)12(13,14)15/h8-11,16H,3-7H2,1-2H3
InChIKeyZKRVYBAWSABOBB-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.28
Rot. Bonds4

About 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol

4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol (PubChem CID 66277431) has the molecular formula C12H21F3O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol.

Molecular Properties

Compound Name4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol
PubChem CID66277431
Molecular FormulaC12H21F3O2
Molecular Weight254.29 g/mol
Exact Mass254.15
IUPAC Name4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol
SMILESCCCC1CCC(O)C(OC(C)C(F)(F)F)C1
InChIInChI=1S/C12H21F3O2/c1-3-4-9-5-6-10(16)11(7-9)17-8(2)12(13,14)15/h8-11,16H,3-7H2,1-2H3
InChIKeyZKRVYBAWSABOBB-UHFFFAOYSA-N
XLogP3.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclohexanol, 2-methoxy-4-propyl-
CID 91098
2-(4,4-Difluorocyclohexyl)-2-methoxyethan-1-ol
CID 155819703
(1S,2S,4S)-3,3-difluoro-4-methylcyclohexane-1,2-diol
CID 168329107
4-n-Propylcyclohexane-1,2-diol
CID 3344188
2-Methoxy-4-ethylcyclohexanol
CID 20600623
2-Methoxy-4-methylcyclohexan-1-ol
CID 22083203
2-Methoxy-5-methylcyclohexan-1-ol
CID 22083204
4-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexyl)cyclohexane-1,2-diol
CID 19097009
2-[(1-Cyclohexyl-2,2,2-trifluoroethoxy)methyl]-1,1,1-trifluorobutan-2-ol
CID 58952845
1-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)oxybutan-2-ol
CID 58969670
4-Ethyl-2-[5-ethyl-2-[5-ethyl-2-[2-(3,3,4,4,5,5,6,6,6-nonafluorohexoxy)ethoxy]cyclohexyl]oxycyclohexyl]oxycyclohexan-1-ol
CID 59378529
4-Methyl-1-(2,2,2-trifluoroethoxy)decan-2-ol
CID 126657375

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol?
The IUPAC name of 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol (CID 66277431) is 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol.
What is the SMILES notation for 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol?
The canonical SMILES for 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol is CCCC1CCC(O)C(OC(C)C(F)(F)F)C1.
What is the InChIKey of 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol?
The InChIKey is ZKRVYBAWSABOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O2/c1-3-4-9-5-6-10(16)11(7-9)17-8(2)12(13,14)15/h8-11,16H,3-7H2,1-2H3.
What are the key properties of 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol?
4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol has a molecular weight of 254.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cyclohexan-1-ol is sourced from PubChem (CID 66277431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).