1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate

C10H12F6O2 — CID 102201973

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H12F6O2/c11-9(12,13)8(10(14,15)16)18-7(17)6-4-2-1-3-5-6/h6,8H,1-5H2
InChIKeyNGPNALABWZVOKC-UHFFFAOYSA-N
MW278.19 g/mol
LogP3.60
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate (PubChem CID 102201973) has the molecular formula C10H12F6O2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate
PubChem CID102201973
Molecular FormulaC10H12F6O2
Molecular Weight278.19 g/mol
Exact Mass278.07
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C10H12F6O2/c11-9(12,13)8(10(14,15)16)18-7(17)6-4-2-1-3-5-6/h6,8H,1-5H2
InChIKeyNGPNALABWZVOKC-UHFFFAOYSA-N
XLogP3.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate (CID 102201973) is 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate?
The InChIKey is NGPNALABWZVOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6O2/c11-9(12,13)8(10(14,15)16)18-7(17)6-4-2-1-3-5-6/h6,8H,1-5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate has a molecular weight of 278.19 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl cyclohexanecarboxylate is sourced from PubChem (CID 102201973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).