1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol

C11H14F9NO — CID 87772867

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol
SMILESOC(C1CCC(NCC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h6-7,21-22H,1-5H2
InChIKeyFFFWWNTVWFTPGQ-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.55
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol (PubChem CID 87772867) has the molecular formula C11H14F9NO and a molecular weight of 347.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol
PubChem CID87772867
Molecular FormulaC11H14F9NO
Molecular Weight347.22 g/mol
Exact Mass347.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol
SMILESOC(C1CCC(NCC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H14F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h6-7,21-22H,1-5H2
InChIKeyFFFWWNTVWFTPGQ-UHFFFAOYSA-N
XLogP3.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol (CID 87772867) is 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol is OC(C1CCC(NCC(F)(F)F)CC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol?
The InChIKey is FFFWWNTVWFTPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F9NO/c12-8(13,14)5-21-7-3-1-6(2-4-7)9(22,10(15,16)17)11(18,19)20/h6-7,21-22H,1-5H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol has a molecular weight of 347.22 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,2-trifluoroethylamino)cyclohexyl]propan-2-ol is sourced from PubChem (CID 87772867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).