2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H17F6NO — CID 154457891

IUPAC2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCNC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H17F6NO/c1-2-18-8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h7-8,18-19H,2-6H2,1H3
InChIKeyRHGFJLQOPQJCJH-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.01
Rot. Bonds3

About 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 154457891) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID154457891
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC Name2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCNC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C11H17F6NO/c1-2-18-8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h7-8,18-19H,2-6H2,1H3
InChIKeyRHGFJLQOPQJCJH-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 154457891) is 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCNC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is RHGFJLQOPQJCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c1-2-18-8-5-3-7(4-6-8)9(19,10(12,13)14)11(15,16)17/h7-8,18-19H,2-6H2,1H3.
What are the key properties of 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 293.25 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylamino)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 154457891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).