2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol

C17H15F10NO — CID 11396509

IUPAC2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol
SMILESCC(C)/N=C(/CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H15F10NO/c1-9(2)28-11(10-6-4-3-5-7-10)8-12(29)13(18,17(25,26)27)15(21,22)16(23,24)14(12,19)20/h3-7,9,29H,8H2,1-2H3/b28-11-
InChIKeySWQGECVTXLUGIG-FXMZOFOKSA-N
MW439.29 g/mol
LogP5.20
Rot. Bonds4

About 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol

2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol (PubChem CID 11396509) has the molecular formula C17H15F10NO and a molecular weight of 439.29 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol
PubChem CID11396509
Molecular FormulaC17H15F10NO
Molecular Weight439.29 g/mol
Exact Mass439.10
IUPAC Name2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol
SMILESCC(C)/N=C(/CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H15F10NO/c1-9(2)28-11(10-6-4-3-5-7-10)8-12(29)13(18,17(25,26)27)15(21,22)16(23,24)14(12,19)20/h3-7,9,29H,8H2,1-2H3/b28-11-
InChIKeySWQGECVTXLUGIG-FXMZOFOKSA-N
XLogP5.20
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.29
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-Fluorophenyl)-4-(trifluoromethyl)-2,3,4a,7,8,9-hexahydropyrido[3,2-c]azepin-4-ol
CID 123874401
5-(4-Ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
CID 134425817
2-[(2R)-5-(4-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588463
2-[(2R)-5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588525
2-[(2R)-5-(2-fluorophenyl)-3,4-dihydro-2H-pyrrol-2-yl]propan-2-ol
CID 142588584
2,2-difluoro-1-(3-methyl-5-phenyl-3,4-dihydro-2H-pyrrol-2-yl)ethanol
CID 177064966
1,1,1-Trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol
CID 2759493
1-Isopropylimino-1-phenyl-3-(trifluoromethyl)-4,4,4-trifluorobutan-3-OL
CID 2759494
(2S)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol
CID 7147156
(2R)-1,1,1-trifluoro-2-methyl-4-phenyl-4-propan-2-yliminobutan-2-ol
CID 7147157
4-Cyclohexylimino-1,1,1-trifluoro-2-methyl-4-phenylbutan-2-ol
CID 11012444
4-Cyclohexylimino-1,1,1-trifluoro-4-phenyl-2-(trifluoromethyl)butan-2-ol
CID 101451069

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol (CID 11396509) is 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol is CC(C)/N=C(/CC1(O)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol?
The InChIKey is SWQGECVTXLUGIG-FXMZOFOKSA-N. The full InChI is InChI=1S/C17H15F10NO/c1-9(2)28-11(10-6-4-3-5-7-10)8-12(29)13(18,17(25,26)27)15(21,22)16(23,24)14(12,19)20/h3-7,9,29H,8H2,1-2H3/b28-11-.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol?
2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol has a molecular weight of 439.29 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptafluoro-1-(2-phenyl-2-propan-2-yliminoethyl)-5-(trifluoromethyl)cyclopentan-1-ol is sourced from PubChem (CID 11396509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).