2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol

C17H31F3O — CID 70827511

IUPAC2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol
SMILESCC1(C(O)C(F)(F)F)CCCCCCCCCCCCC1
InChIInChI=1S/C17H31F3O/c1-16(15(21)17(18,19)20)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h15,21H,2-14H2,1H3
InChIKeyJVNYFOCZHGFPND-UHFFFAOYSA-N
MW308.43 g/mol
LogP6.00
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol

2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol (PubChem CID 70827511) has the molecular formula C17H31F3O and a molecular weight of 308.43 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol
PubChem CID70827511
Molecular FormulaC17H31F3O
Molecular Weight308.43 g/mol
Exact Mass308.23
IUPAC Name2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol
SMILESCC1(C(O)C(F)(F)F)CCCCCCCCCCCCC1
InChIInChI=1S/C17H31F3O/c1-16(15(21)17(18,19)20)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h15,21H,2-14H2,1H3
InChIKeyJVNYFOCZHGFPND-UHFFFAOYSA-N
XLogP6.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.43
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol (CID 70827511) is 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol is CC1(C(O)C(F)(F)F)CCCCCCCCCCCCC1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol?
The InChIKey is JVNYFOCZHGFPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31F3O/c1-16(15(21)17(18,19)20)13-11-9-7-5-3-2-4-6-8-10-12-14-16/h15,21H,2-14H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol?
2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol has a molecular weight of 308.43 g/mol, XLogP of 6.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-methylcyclotetradecyl)ethanol is sourced from PubChem (CID 70827511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).