1-cyclohexyl-3,3-difluoropyrrolidine

C10H17F2N — CID 117007575

IUPAC1-cyclohexyl-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(C2CCCCC2)C1
InChIInChI=1S/C10H17F2N/c11-10(12)6-7-13(8-10)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyIOLHEPLKAMWICS-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.66
Rot. Bonds1

About 1-cyclohexyl-3,3-difluoropyrrolidine

1-cyclohexyl-3,3-difluoropyrrolidine (PubChem CID 117007575) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-cyclohexyl-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-cyclohexyl-3,3-difluoropyrrolidine
PubChem CID117007575
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-cyclohexyl-3,3-difluoropyrrolidine
SMILESFC1(F)CCN(C2CCCCC2)C1
InChIInChI=1S/C10H17F2N/c11-10(12)6-7-13(8-10)9-4-2-1-3-5-9/h9H,1-8H2
InChIKeyIOLHEPLKAMWICS-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3,3-difluoropyrrolidine?
The IUPAC name of 1-cyclohexyl-3,3-difluoropyrrolidine (CID 117007575) is 1-cyclohexyl-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-cyclohexyl-3,3-difluoropyrrolidine?
The canonical SMILES for 1-cyclohexyl-3,3-difluoropyrrolidine is FC1(F)CCN(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-3,3-difluoropyrrolidine?
The InChIKey is IOLHEPLKAMWICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c11-10(12)6-7-13(8-10)9-4-2-1-3-5-9/h9H,1-8H2.
What are the key properties of 1-cyclohexyl-3,3-difluoropyrrolidine?
1-cyclohexyl-3,3-difluoropyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3,3-difluoropyrrolidine is sourced from PubChem (CID 117007575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).