[2,2-bis(fluoromethyl)cyclopropyl]methanol

C6H10F2O — CID 90019806

IUPAC[2,2-bis(fluoromethyl)cyclopropyl]methanol
SMILESOCC1CC1(CF)CF
InChIInChI=1S/C6H10F2O/c7-3-6(4-8)1-5(6)2-9/h5,9H,1-4H2
InChIKeyMTMDRKJBLKUWND-UHFFFAOYSA-N
MW136.14 g/mol
LogP0.92
Rot. Bonds3

About [2,2-bis(fluoromethyl)cyclopropyl]methanol

[2,2-bis(fluoromethyl)cyclopropyl]methanol (PubChem CID 90019806) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is [2,2-bis(fluoromethyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[2,2-bis(fluoromethyl)cyclopropyl]methanol
PubChem CID90019806
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name[2,2-bis(fluoromethyl)cyclopropyl]methanol
SMILESOCC1CC1(CF)CF
InChIInChI=1S/C6H10F2O/c7-3-6(4-8)1-5(6)2-9/h5,9H,1-4H2
InChIKeyMTMDRKJBLKUWND-UHFFFAOYSA-N
XLogP0.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2,2-bis(fluoromethyl)cyclopropyl]methanol?
The IUPAC name of [2,2-bis(fluoromethyl)cyclopropyl]methanol (CID 90019806) is [2,2-bis(fluoromethyl)cyclopropyl]methanol.
What is the SMILES notation for [2,2-bis(fluoromethyl)cyclopropyl]methanol?
The canonical SMILES for [2,2-bis(fluoromethyl)cyclopropyl]methanol is OCC1CC1(CF)CF.
What is the InChIKey of [2,2-bis(fluoromethyl)cyclopropyl]methanol?
The InChIKey is MTMDRKJBLKUWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c7-3-6(4-8)1-5(6)2-9/h5,9H,1-4H2.
What are the key properties of [2,2-bis(fluoromethyl)cyclopropyl]methanol?
[2,2-bis(fluoromethyl)cyclopropyl]methanol has a molecular weight of 136.14 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(fluoromethyl)cyclopropyl]methanol is sourced from PubChem (CID 90019806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).