1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol

C17H17F2NO — CID 123728386

IUPAC1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C17H17F2NO/c1-3-17(2,21)10-20-15-6-4-11(18)8-13(15)14-9-12(19)5-7-16(14)20/h4-9,21H,3,10H2,1-2H3
InChIKeyFQLCMJTXIRSQPK-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.23
Rot. Bonds3

About 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol

1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol (PubChem CID 123728386) has the molecular formula C17H17F2NO and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol
PubChem CID123728386
Molecular FormulaC17H17F2NO
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1c2ccc(F)cc2c2cc(F)ccc21
InChIInChI=1S/C17H17F2NO/c1-3-17(2,21)10-20-15-6-4-11(18)8-13(15)14-9-12(19)5-7-16(14)20/h4-9,21H,3,10H2,1-2H3
InChIKeyFQLCMJTXIRSQPK-UHFFFAOYSA-N
XLogP4.23
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol?
The IUPAC name of 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol (CID 123728386) is 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol?
The canonical SMILES for 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol is CCC(C)(O)Cn1c2ccc(F)cc2c2cc(F)ccc21.
What is the InChIKey of 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol?
The InChIKey is FQLCMJTXIRSQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO/c1-3-17(2,21)10-20-15-6-4-11(18)8-13(15)14-9-12(19)5-7-16(14)20/h4-9,21H,3,10H2,1-2H3.
What are the key properties of 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol?
1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol has a molecular weight of 289.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-difluorocarbazol-9-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 123728386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).