(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine

C10H13F2N — CID 66694342

IUPAC(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
SMILESFC1=CC=C[C@H](C2C[C@@H](F)CN2)C1
InChIInChI=1S/C10H13F2N/c11-8-3-1-2-7(4-8)10-5-9(12)6-13-10/h1-3,7,9-10,13H,4-6H2/t7-,9+,10?/m0/s1
InChIKeyQHCVFAWIIIWWSX-CEVVRISASA-N
MW185.22 g/mol
LogP2.12
Rot. Bonds1

About (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine

(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine (PubChem CID 66694342) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine.

Molecular Properties

Compound Name(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
PubChem CID66694342
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
SMILESFC1=CC=C[C@H](C2C[C@@H](F)CN2)C1
InChIInChI=1S/C10H13F2N/c11-8-3-1-2-7(4-8)10-5-9(12)6-13-10/h1-3,7,9-10,13H,4-6H2/t7-,9+,10?/m0/s1
InChIKeyQHCVFAWIIIWWSX-CEVVRISASA-N
XLogP2.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine?
The IUPAC name of (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine (CID 66694342) is (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine.
What is the SMILES notation for (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine?
The canonical SMILES for (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine is FC1=CC=C[C@H](C2C[C@@H](F)CN2)C1.
What is the InChIKey of (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine?
The InChIKey is QHCVFAWIIIWWSX-CEVVRISASA-N. The full InChI is InChI=1S/C10H13F2N/c11-8-3-1-2-7(4-8)10-5-9(12)6-13-10/h1-3,7,9-10,13H,4-6H2/t7-,9+,10?/m0/s1.
What are the key properties of (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine?
(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine has a molecular weight of 185.22 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine is sourced from PubChem (CID 66694342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).