(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol

C11H15F2NO — CID 163737034

IUPAC(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
SMILESCC1C(F)=CC(N2CC[C@@H](O)C2)=CC1F
InChIInChI=1S/C11H15F2NO/c1-7-10(12)4-8(5-11(7)13)14-3-2-9(15)6-14/h4-5,7,9-10,15H,2-3,6H2,1H3/t7?,9-,10?/m1/s1
InChIKeyLENFRDDGXFJSBE-HDDMYIMNSA-N
MW215.24 g/mol
LogP1.78
Rot. Bonds1

About (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol

(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol (PubChem CID 163737034) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
PubChem CID163737034
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
SMILESCC1C(F)=CC(N2CC[C@@H](O)C2)=CC1F
InChIInChI=1S/C11H15F2NO/c1-7-10(12)4-8(5-11(7)13)14-3-2-9(15)6-14/h4-5,7,9-10,15H,2-3,6H2,1H3/t7?,9-,10?/m1/s1
InChIKeyLENFRDDGXFJSBE-HDDMYIMNSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol (CID 163737034) is (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol is CC1C(F)=CC(N2CC[C@@H](O)C2)=CC1F.
What is the InChIKey of (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
The InChIKey is LENFRDDGXFJSBE-HDDMYIMNSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7-10(12)4-8(5-11(7)13)14-3-2-9(15)6-14/h4-5,7,9-10,15H,2-3,6H2,1H3/t7?,9-,10?/m1/s1.
What are the key properties of (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol?
(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol has a molecular weight of 215.24 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol is sourced from PubChem (CID 163737034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).