(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine

C10H12F3N — CID 126665170

IUPAC(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine
SMILESFC1=CC([C@H]2C[C@H](F)CN2)CC(F)=C1
InChIInChI=1S/C10H12F3N/c11-7-1-6(2-8(12)3-7)10-4-9(13)5-14-10/h1,3,6,9-10,14H,2,4-5H2/t6?,9-,10+/m0/s1
InChIKeyLEAUCVPOFPZFKN-YNMRDIRWSA-N
MW203.21 g/mol
LogP2.41
Rot. Bonds1

About (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine

(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine (PubChem CID 126665170) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine
PubChem CID126665170
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine
SMILESFC1=CC([C@H]2C[C@H](F)CN2)CC(F)=C1
InChIInChI=1S/C10H12F3N/c11-7-1-6(2-8(12)3-7)10-4-9(13)5-14-10/h1,3,6,9-10,14H,2,4-5H2/t6?,9-,10+/m0/s1
InChIKeyLEAUCVPOFPZFKN-YNMRDIRWSA-N
XLogP2.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine?
The IUPAC name of (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine (CID 126665170) is (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine.
What is the SMILES notation for (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine?
The canonical SMILES for (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine is FC1=CC([C@H]2C[C@H](F)CN2)CC(F)=C1.
What is the InChIKey of (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine?
The InChIKey is LEAUCVPOFPZFKN-YNMRDIRWSA-N. The full InChI is InChI=1S/C10H12F3N/c11-7-1-6(2-8(12)3-7)10-4-9(13)5-14-10/h1,3,6,9-10,14H,2,4-5H2/t6?,9-,10+/m0/s1.
What are the key properties of (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine?
(2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine has a molecular weight of 203.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-2-(3,5-difluorocyclohexa-2,4-dien-1-yl)-4-fluoropyrrolidine is sourced from PubChem (CID 126665170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).