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

C10H13F2N — CID 66695539

IUPAC(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CC=CC([C@@H]2C[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+/m1/s1
InChIKeyQHCVFAWIIIWWSX-MKSVKPQVSA-N
MW185.22 g/mol
LogP2.12
Rot. Bonds1

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

(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 66695539) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID66695539
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CC=CC([C@@H]2C[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+/m1/s1
InChIKeyQHCVFAWIIIWWSX-MKSVKPQVSA-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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Related Compounds

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CID 15821030
2,3,3a,4,5,7a-Hexahydroindole
CID 18426479
4b,8a,9,9a-tetrahydro-4aH-carbazole
CID 20247922
3,3a,4,4a,8a,8b-Hexahydrocyclopenta[b]indole
CID 22490754
(4R)-4-fluoro-2-[(1R)-5-fluorocyclohexa-2,4-dien-1-yl]pyrrolidine
CID 66694342
5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]cyclohexa-1,5-diene-1-carbonitrile
CID 66694347
3-fluoro-4-[(2R)-pyrrolidin-2-yl]cyclohexa-1,5-dien-1-amine
CID 68024007
N-[1-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethyl]propan-1-amine
CID 70842357
(2R)-2-[(5-fluoro-4-methylcyclohexa-2,4-dien-1-yl)methyl]-4-methylpyrrolidine
CID 70867666
2-(3-Fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 123214823
5-(2,6-Difluorocyclohex-3-en-1-yl)-2,3-diethylpyrrolidine
CID 123310293
6-fluoro-2-methyl-2,3,3a,7a-tetrahydro-1H-indole
CID 123866645

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The IUPAC name of (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (CID 66695539) is (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is FC1=CC=CC([C@@H]2C[C@@H](F)CN2)C1.
What is the InChIKey of (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The InChIKey is QHCVFAWIIIWWSX-MKSVKPQVSA-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+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
(2S,4R)-4-fluoro-2-(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 (2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 66695539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).