(3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid

C9H8F2O3 — CID 163998839

IUPAC(3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)/C=C1/CC=CC(F)=C1F
InChIInChI=1S/C9H8F2O3/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1,3-4,7,12H,2H2,(H,13,14)/b5-4-
InChIKeyUHCQWGFIRRLCRC-PLNGDYQASA-N
MW202.16 g/mol
LogP1.47
Rot. Bonds2

About (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid

(3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid (PubChem CID 163998839) has the molecular formula C9H8F2O3 and a molecular weight of 202.16 g/mol. Its IUPAC name is (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid
PubChem CID163998839
Molecular FormulaC9H8F2O3
Molecular Weight202.16 g/mol
Exact Mass202.04
IUPAC Name(3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)/C=C1/CC=CC(F)=C1F
InChIInChI=1S/C9H8F2O3/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1,3-4,7,12H,2H2,(H,13,14)/b5-4-
InChIKeyUHCQWGFIRRLCRC-PLNGDYQASA-N
XLogP1.47
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-mandelic acid
CID 18681235
2-(5,5-Difluorocyclohexa-1,3-dien-1-yl)-2-hydroxyacetic acid
CID 67423445
(3E)-3-ethenyl-5-fluoro-2-hydroxyhexa-3,5-dienoic acid
CID 156646698
(Z)-3,6-difluoro-2-hydroxyhex-3-enoic acid
CID 163598417
(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 57236627
(2S)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 89357101
3-Ethenyl-2-hydroxy-4-methylhexa-3,5-dienoic acid
CID 123931428
(3E,5E)-3-ethenyl-2,6-dihydroxyhepta-3,5-dienoic acid
CID 126580230
(3E,5E)-3-ethenyl-2,6-dihydroxyocta-3,5,7-trienoic acid
CID 129301978
ethane;(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienoic acid
CID 142048635
ethane;(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066464
(3E,4Z,6Z)-2-hydroxy-3-prop-2-enylideneocta-4,6-dienoic acid
CID 143156013

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid?
The IUPAC name of (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid (CID 163998839) is (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid.
What is the SMILES notation for (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid?
The canonical SMILES for (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid is O=C(O)C(O)/C=C1/CC=CC(F)=C1F.
What is the InChIKey of (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid?
The InChIKey is UHCQWGFIRRLCRC-PLNGDYQASA-N. The full InChI is InChI=1S/C9H8F2O3/c10-6-3-1-2-5(8(6)11)4-7(12)9(13)14/h1,3-4,7,12H,2H2,(H,13,14)/b5-4-.
What are the key properties of (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid?
(3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid has a molecular weight of 202.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(2,3-difluorocyclohexa-2,4-dien-1-ylidene)-2-hydroxypropanoic acid is sourced from PubChem (CID 163998839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).