3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol

C9H13FO — CID 130306838

IUPAC3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC(C)C1C=C(F)C=C(O)C1
InChIInChI=1S/C9H13FO/c1-6(2)7-3-8(10)5-9(11)4-7/h3,5-7,11H,4H2,1-2H3
InChIKeyXJUPRHXHQZGMAA-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.96
Rot. Bonds1

About 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol

3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol (PubChem CID 130306838) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol
PubChem CID130306838
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol
SMILESCC(C)C1C=C(F)C=C(O)C1
InChIInChI=1S/C9H13FO/c1-6(2)7-3-8(10)5-9(11)4-7/h3,5-7,11H,4H2,1-2H3
InChIKeyXJUPRHXHQZGMAA-UHFFFAOYSA-N
XLogP2.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol (CID 130306838) is 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol is CC(C)C1C=C(F)C=C(O)C1.
What is the InChIKey of 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol?
The InChIKey is XJUPRHXHQZGMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-6(2)7-3-8(10)5-9(11)4-7/h3,5-7,11H,4H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol?
3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 130306838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).