1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol

C11H17FO — CID 89328552

IUPAC1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
SMILESCCCC(O)CC1C=CC(F)=CC1
InChIInChI=1S/C11H17FO/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4,6-7,9,11,13H,2-3,5,8H2,1H3
InChIKeyLXRCCMMKAQWOOR-UHFFFAOYSA-N
MW184.25 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol

1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol (PubChem CID 89328552) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
PubChem CID89328552
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol
SMILESCCCC(O)CC1C=CC(F)=CC1
InChIInChI=1S/C11H17FO/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4,6-7,9,11,13H,2-3,5,8H2,1H3
InChIKeyLXRCCMMKAQWOOR-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
The IUPAC name of 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol (CID 89328552) is 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol.
What is the SMILES notation for 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
The canonical SMILES for 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol is CCCC(O)CC1C=CC(F)=CC1.
What is the InChIKey of 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
The InChIKey is LXRCCMMKAQWOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-2-3-11(13)8-9-4-6-10(12)7-5-9/h4,6-7,9,11,13H,2-3,5,8H2,1H3.
What are the key properties of 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol?
1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol has a molecular weight of 184.25 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-2,4-dien-1-yl)pentan-2-ol is sourced from PubChem (CID 89328552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).