4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol

C9H13FO — CID 138514146

IUPAC4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)(F)C1=CC=C(O)CC1
InChIInChI=1S/C9H13FO/c1-9(2,10)7-3-5-8(11)6-4-7/h3,5,11H,4,6H2,1-2H3
InChIKeyVQZHRNJLLPSUQH-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.90
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol

4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol (PubChem CID 138514146) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol
PubChem CID138514146
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol
SMILESCC(C)(F)C1=CC=C(O)CC1
InChIInChI=1S/C9H13FO/c1-9(2,10)7-3-5-8(11)6-4-7/h3,5,11H,4,6H2,1-2H3
InChIKeyVQZHRNJLLPSUQH-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol (CID 138514146) is 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol is CC(C)(F)C1=CC=C(O)CC1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol?
The InChIKey is VQZHRNJLLPSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-9(2,10)7-3-5-8(11)6-4-7/h3,5,11H,4,6H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol?
4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 138514146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).