1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol

C11H15F2NO — CID 142350666

IUPAC1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol
SMILESOC1CN(CC2=CCCC=C2)CC1(F)F
InChIInChI=1S/C11H15F2NO/c12-11(13)8-14(7-10(11)15)6-9-4-2-1-3-5-9/h2,4-5,10,15H,1,3,6-8H2
InChIKeySMSBANLFTSFPJN-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.57
Rot. Bonds2

About 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol

1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol (PubChem CID 142350666) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol
PubChem CID142350666
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol
SMILESOC1CN(CC2=CCCC=C2)CC1(F)F
InChIInChI=1S/C11H15F2NO/c12-11(13)8-14(7-10(11)15)6-9-4-2-1-3-5-9/h2,4-5,10,15H,1,3,6-8H2
InChIKeySMSBANLFTSFPJN-UHFFFAOYSA-N
XLogP1.57
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol (CID 142350666) is 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol is OC1CN(CC2=CCCC=C2)CC1(F)F.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol?
The InChIKey is SMSBANLFTSFPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c12-11(13)8-14(7-10(11)15)6-9-4-2-1-3-5-9/h2,4-5,10,15H,1,3,6-8H2.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol?
1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol has a molecular weight of 215.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylmethyl)-4,4-difluoropyrrolidin-3-ol is sourced from PubChem (CID 142350666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).