(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol

C9H13FO — CID 67765367

IUPAC(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESC[C@@H](O)CC1=CCC(F)C=C1
InChIInChI=1S/C9H13FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-4,7,9,11H,5-6H2,1H3/t7-,9?/m1/s1
InChIKeyWKGKLPDLQKOJGH-YOXFSPIKSA-N
MW156.20 g/mol
LogP1.98
Rot. Bonds2

About (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol

(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol (PubChem CID 67765367) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
PubChem CID67765367
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol
SMILESC[C@@H](O)CC1=CCC(F)C=C1
InChIInChI=1S/C9H13FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-4,7,9,11H,5-6H2,1H3/t7-,9?/m1/s1
InChIKeyWKGKLPDLQKOJGH-YOXFSPIKSA-N
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol?
The IUPAC name of (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol (CID 67765367) is (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol?
The canonical SMILES for (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol is C[C@@H](O)CC1=CCC(F)C=C1.
What is the InChIKey of (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol?
The InChIKey is WKGKLPDLQKOJGH-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H13FO/c1-7(11)6-8-2-4-9(10)5-3-8/h2-4,7,9,11H,5-6H2,1H3/t7-,9?/m1/s1.
What are the key properties of (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol?
(2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol has a molecular weight of 156.20 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-fluorocyclohexa-1,5-dien-1-yl)propan-2-ol is sourced from PubChem (CID 67765367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).