4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol

C10H15FO — CID 138514206

IUPAC4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(O)C=CC(C(C)(C)F)C1
InChIInChI=1S/C10H15FO/c1-7-6-8(10(2,3)11)4-5-9(7)12/h4-5,8,12H,6H2,1-3H3
InChIKeyVEWJAGHQDQKJNP-UHFFFAOYSA-N
MW170.23 g/mol
LogP3.14
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol

4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol (PubChem CID 138514206) has the molecular formula C10H15FO and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol
PubChem CID138514206
Molecular FormulaC10H15FO
Molecular Weight170.23 g/mol
Exact Mass170.11
IUPAC Name4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol
SMILESCC1=C(O)C=CC(C(C)(C)F)C1
InChIInChI=1S/C10H15FO/c1-7-6-8(10(2,3)11)4-5-9(7)12/h4-5,8,12H,6H2,1-3H3
InChIKeyVEWJAGHQDQKJNP-UHFFFAOYSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 53.14
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)-2-methylcyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol (CID 138514206) is 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol is CC1=C(O)C=CC(C(C)(C)F)C1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol?
The InChIKey is VEWJAGHQDQKJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO/c1-7-6-8(10(2,3)11)4-5-9(7)12/h4-5,8,12H,6H2,1-3H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol?
4-(2-fluoropropan-2-yl)-2-methylcyclohexa-1,5-dien-1-ol has a molecular weight of 170.23 g/mol, XLogP of 3.14, 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)-2-methylcyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 138514206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).