2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid

C14H9F2NO2 — CID 175399691

IUPAC2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H9F2NO2/c15-14(16,13(18)19)10-6-3-5-9-8-4-1-2-7-11(8)17-12(9)10/h1-7,17H,(H,18,19)
InChIKeyYVZSUKZIECQBSJ-UHFFFAOYSA-N
MW261.23 g/mol
LogP3.50
Rot. Bonds2

About 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid

2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid (PubChem CID 175399691) has the molecular formula C14H9F2NO2 and a molecular weight of 261.23 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid
PubChem CID175399691
Molecular FormulaC14H9F2NO2
Molecular Weight261.23 g/mol
Exact Mass261.06
IUPAC Name2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C14H9F2NO2/c15-14(16,13(18)19)10-6-3-5-9-8-4-1-2-7-11(8)17-12(9)10/h1-7,17H,(H,18,19)
InChIKeyYVZSUKZIECQBSJ-UHFFFAOYSA-N
XLogP3.50
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(9H-carbazol-1-yl)-1-fluoroethyl]-9H-carbazole
CID 175508269
9H-carbazole;carbonic acid
CID 67577328
2-(9H-carbazole-1-carbonyl)benzoic acid
CID 54401477
10H-acridine-9-thione;2,2,2-trifluoroacetic acid
CID 71410510
2,2-difluoro-2-(2-fluorophenyl)acetic acid
CID 62492425
benzoic acid;9H-carbazole
CID 162147282
9H-carbazole-1-carboxamide;hydrochloride
CID 141272518
N-(9H-carbazol-1-yl)benzamide
CID 138533611
5H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 135155539
1-ethenyl-9H-carbazole;prop-2-enoic acid
CID 167561200
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
2-(9H-carbazol-1-yl)-3-methoxy-3-oxopropanoic acid
CID 57131980

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid (CID 175399691) is 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid?
The InChIKey is YVZSUKZIECQBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NO2/c15-14(16,13(18)19)10-6-3-5-9-8-4-1-2-7-11(8)17-12(9)10/h1-7,17H,(H,18,19).
What are the key properties of 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid?
2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid has a molecular weight of 261.23 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 175399691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).