[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol

C13H15FO — CID 105458990

IUPAC[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol
SMILESOCC1CC1(c1cccc(F)c1)C1CC1
InChIInChI=1S/C13H15FO/c14-12-3-1-2-10(6-12)13(9-4-5-9)7-11(13)8-15/h1-3,6,9,11,15H,4-5,7-8H2
InChIKeyPXSONAHSJONVDW-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.49
Rot. Bonds3

About [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol

[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol (PubChem CID 105458990) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol
PubChem CID105458990
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol
SMILESOCC1CC1(c1cccc(F)c1)C1CC1
InChIInChI=1S/C13H15FO/c14-12-3-1-2-10(6-12)13(9-4-5-9)7-11(13)8-15/h1-3,6,9,11,15H,4-5,7-8H2
InChIKeyPXSONAHSJONVDW-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol?
The IUPAC name of [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol (CID 105458990) is [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol.
What is the SMILES notation for [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol?
The canonical SMILES for [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol is OCC1CC1(c1cccc(F)c1)C1CC1.
What is the InChIKey of [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol?
The InChIKey is PXSONAHSJONVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-12-3-1-2-10(6-12)13(9-4-5-9)7-11(13)8-15/h1-3,6,9,11,15H,4-5,7-8H2.
What are the key properties of [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol?
[2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol has a molecular weight of 206.26 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-2-(3-fluorophenyl)cyclopropyl]methanol is sourced from PubChem (CID 105458990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).