(2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine

C10H13F2N — CID 138701542

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

About (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine

(2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (PubChem CID 138701542) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
PubChem CID138701542
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name(2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
SMILESFC1=CC([C@H]2C[C@H](F)CN2)CC=C1
InChIInChI=1S/C10H13F2N/c11-8-3-1-2-7(4-8)10-5-9(12)6-13-10/h1,3-4,7,9-10,13H,2,5-6H2/t7?,9-,10+/m0/s1
InChIKeyMQTKVSOTSZHFEW-VYDKEIKOSA-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 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
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5-fluoro-3-[(2R,4S)-4-fluoropyrrolidin-2-yl]cyclohexa-1,5-diene-1-carbonitrile
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(2S,4R)-4-fluoro-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine
CID 66695539
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
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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The IUPAC name of (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine (CID 138701542) is (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is FC1=CC([C@H]2C[C@H](F)CN2)CC=C1.
What is the InChIKey of (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
The InChIKey is MQTKVSOTSZHFEW-VYDKEIKOSA-N. The full InChI is InChI=1S/C10H13F2N/c11-8-3-1-2-7(4-8)10-5-9(12)6-13-10/h1,3-4,7,9-10,13H,2,5-6H2/t7?,9-,10+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine?
(2R,4S)-4-fluoro-2-(3-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 (2R,4S)-4-fluoro-2-(3-fluorocyclohexa-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 138701542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).