(4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol

C11H15FO — CID 170293621

IUPAC(4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol
SMILESCC1CC1C(O)C1=CCC(F)C=C1
InChIInChI=1S/C11H15FO/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-4,7,9-11,13H,5-6H2,1H3
InChIKeyDKHMGUBFNDATQK-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.23
Rot. Bonds2

About (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol

(4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol (PubChem CID 170293621) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol.

Molecular Properties

Compound Name(4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol
PubChem CID170293621
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol
SMILESCC1CC1C(O)C1=CCC(F)C=C1
InChIInChI=1S/C11H15FO/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-4,7,9-11,13H,5-6H2,1H3
InChIKeyDKHMGUBFNDATQK-UHFFFAOYSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol?
The IUPAC name of (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol (CID 170293621) is (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol.
What is the SMILES notation for (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol?
The canonical SMILES for (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol is CC1CC1C(O)C1=CCC(F)C=C1.
What is the InChIKey of (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol?
The InChIKey is DKHMGUBFNDATQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-7-6-10(7)11(13)8-2-4-9(12)5-3-8/h2-4,7,9-11,13H,5-6H2,1H3.
What are the key properties of (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol?
(4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol has a molecular weight of 182.24 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorocyclohexa-1,5-dien-1-yl)-(2-methylcyclopropyl)methanol is sourced from PubChem (CID 170293621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).