1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane

C10H18F4O — CID 142312006

IUPAC1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane
SMILESCC.CC(O)C(F)(F)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H12F4O.C2H6/c1-5(13)8(11,12)6(2)3-7(9,10)4-6;1-2/h5,13H,3-4H2,1-2H3;1-2H3
InChIKeyMSEIUTYJXNNRTP-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.46
Rot. Bonds2

About 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane

1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane (PubChem CID 142312006) has the molecular formula C10H18F4O and a molecular weight of 230.24 g/mol. Its IUPAC name is 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane.

Molecular Properties

Compound Name1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane
PubChem CID142312006
Molecular FormulaC10H18F4O
Molecular Weight230.24 g/mol
Exact Mass230.13
IUPAC Name1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane
SMILESCC.CC(O)C(F)(F)C1(C)CC(F)(F)C1
InChIInChI=1S/C8H12F4O.C2H6/c1-5(13)8(11,12)6(2)3-7(9,10)4-6;1-2/h5,13H,3-4H2,1-2H3;1-2H3
InChIKeyMSEIUTYJXNNRTP-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane?
The IUPAC name of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane (CID 142312006) is 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane.
What is the SMILES notation for 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane?
The canonical SMILES for 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane is CC.CC(O)C(F)(F)C1(C)CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane?
The InChIKey is MSEIUTYJXNNRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O.C2H6/c1-5(13)8(11,12)6(2)3-7(9,10)4-6;1-2/h5,13H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane?
1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane has a molecular weight of 230.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoropropan-2-ol;ethane is sourced from PubChem (CID 142312006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).