(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

C24H19F4NO2 — CID 155432884

IUPAC(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)ccc21
InChIInChI=1S/C24H19F4NO2/c1-2-29-20-6-4-3-5-18(20)19-13-16(9-12-21(19)29)22(30)15-7-10-17(11-8-15)31-14-24(27,28)23(25)26/h3-13,23H,2,14H2,1H3
InChIKeyINFHXOSLHWTLGM-UHFFFAOYSA-N
MW429.41 g/mol
LogP6.32
Rot. Bonds7

About (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone

(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (PubChem CID 155432884) has the molecular formula C24H19F4NO2 and a molecular weight of 429.41 g/mol. Its IUPAC name is (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.

Molecular Properties

Compound Name(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
PubChem CID155432884
Molecular FormulaC24H19F4NO2
Molecular Weight429.41 g/mol
Exact Mass429.14
IUPAC Name(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
SMILESCCn1c2ccccc2c2cc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)ccc21
InChIInChI=1S/C24H19F4NO2/c1-2-29-20-6-4-3-5-18(20)19-13-16(9-12-21(19)29)22(30)15-7-10-17(11-8-15)31-14-24(27,28)23(25)26/h3-13,23H,2,14H2,1H3
InChIKeyINFHXOSLHWTLGM-UHFFFAOYSA-N
XLogP6.32
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.41
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[9-ethyl-6-[2-(2,2,3,3-tetrafluoropropoxy)benzoyl]carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 155432543
[3,5-bis(trifluoromethyl)phenyl]-(9-ethylcarbazol-3-yl)methanone
CID 155432714
9-ethylcarbazole-3-carboxylic acid
CID 4912869
[8-ethyl-6-[4-(2,2,3,3-tetrafluoropropoxy)benzoyl]-9H-carbazol-3-yl]-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone
CID 172755055
[[4-(9-ethylcarbazole-3-carbonyl)phenyl]-phenyl-λ3-iodanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 155660574
9-ethylcarbazole-3-carboxylate
CID 7148416
(9-ethylcarbazol-3-yl)-(2-ethylphenyl)methanone
CID 141364067
1-[6-(4-butoxybenzoyl)-9-ethylcarbazol-3-yl]heptan-1-one
CID 156846255
[9-(2-ethylbutyl)carbazol-3-yl]-phenylmethanone
CID 70957250
[4-[bis(9-ethylcarbazol-3-yl)amino]phenyl]-phenylmethanone
CID 177399395
9-ethyl-3-(trifluoromethoxy)carbazole
CID 150548469
1-[9-ethyl-6-[4-(hydroxymethoxy)benzoyl]carbazol-3-yl]hexan-1-one
CID 166731440

Frequently Asked Questions

What is the IUPAC name of (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The IUPAC name of (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone (CID 155432884) is (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone.
What is the SMILES notation for (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The canonical SMILES for (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is CCn1c2ccccc2c2cc(C(=O)c3ccc(OCC(F)(F)C(F)F)cc3)ccc21.
What is the InChIKey of (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
The InChIKey is INFHXOSLHWTLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO2/c1-2-29-20-6-4-3-5-18(20)19-13-16(9-12-21(19)29)22(30)15-7-10-17(11-8-15)31-14-24(27,28)23(25)26/h3-13,23H,2,14H2,1H3.
What are the key properties of (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone?
(9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone has a molecular weight of 429.41 g/mol, XLogP of 6.32, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-ethylcarbazol-3-yl)-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]methanone is sourced from PubChem (CID 155432884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).