1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol

C23H28F3NO2 — CID 56669536

IUPAC1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(O)C(F)(F)F)cc21
InChIInChI=1S/C23H28F3NO2/c1-2-3-4-5-6-9-14-27-20-11-8-7-10-18(20)19-13-12-17(15-21(19)27)29-16-22(28)23(24,25)26/h7-8,10-13,15,22,28H,2-6,9,14,16H2,1H3
InChIKeyRBFVOYOTNMDCIM-UHFFFAOYSA-N
MW407.48 g/mol
LogP6.46
Rot. Bonds10

About 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol

1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol (PubChem CID 56669536) has the molecular formula C23H28F3NO2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol
PubChem CID56669536
Molecular FormulaC23H28F3NO2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol
SMILESCCCCCCCCn1c2ccccc2c2ccc(OCC(O)C(F)(F)F)cc21
InChIInChI=1S/C23H28F3NO2/c1-2-3-4-5-6-9-14-27-20-11-8-7-10-18(20)19-13-12-17(15-21(19)27)29-16-22(28)23(24,25)26/h7-8,10-13,15,22,28H,2-6,9,14,16H2,1H3
InChIKeyRBFVOYOTNMDCIM-UHFFFAOYSA-N
XLogP6.46
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.48
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 71739
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CID 13023332
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CID 626468
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CID 25190807
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CID 9949081
CID 9949081
CID 10358392
CID 10358392
CID 46855214
CID 46855214
CID 10368048
CID 10368048
CID 44399778
CID 44399778
CID 46889810
CID 46889810
CID 46889811
CID 46889811
CID 975124
CID 975124

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol (CID 56669536) is 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol is CCCCCCCCn1c2ccccc2c2ccc(OCC(O)C(F)(F)F)cc21.
What is the InChIKey of 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol?
The InChIKey is RBFVOYOTNMDCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3NO2/c1-2-3-4-5-6-9-14-27-20-11-8-7-10-18(20)19-13-12-17(15-21(19)27)29-16-22(28)23(24,25)26/h7-8,10-13,15,22,28H,2-6,9,14,16H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol?
1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol has a molecular weight of 407.48 g/mol, XLogP of 6.46, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(9-octylcarbazol-2-yl)oxypropan-2-ol is sourced from PubChem (CID 56669536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).