4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole

C10H17F2N — CID 130612774

IUPAC4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC(C)N1CC2CCC(F)(F)C2C1
InChIInChI=1S/C10H17F2N/c1-7(2)13-5-8-3-4-10(11,12)9(8)6-13/h7-9H,3-6H2,1-2H3
InChIKeyOZNCYUPVQDFDHU-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.37
Rot. Bonds1

About 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole

4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole (PubChem CID 130612774) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole.

Molecular Properties

Compound Name4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
PubChem CID130612774
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
SMILESCC(C)N1CC2CCC(F)(F)C2C1
InChIInChI=1S/C10H17F2N/c1-7(2)13-5-8-3-4-10(11,12)9(8)6-13/h7-9H,3-6H2,1-2H3
InChIKeyOZNCYUPVQDFDHU-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
CID 58944866
CID 58944866
5,5-Difluoro-2,4-dimethyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 58944878
2-Butan-2-yl-4,4-difluoro-1-methylpyrrolidine
CID 68048638
2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 127448106
4,4-Difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 130611944
2-Ethyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 131201154
(3aR,6aS)-4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 132266648
(3aS,6aR)-5,5-difluoro-2-propan-2-yl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 132266652
(3aR,6aS)-5-methyl-2-(2,2,2-trifluoroethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 135190990
4-Butan-2-yl-3,3-difluoro-1-propan-2-ylpyrrolidine
CID 138617861
(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 140929495

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The IUPAC name of 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole (CID 130612774) is 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole.
What is the SMILES notation for 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The canonical SMILES for 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole is CC(C)N1CC2CCC(F)(F)C2C1.
What is the InChIKey of 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole?
The InChIKey is OZNCYUPVQDFDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-7(2)13-5-8-3-4-10(11,12)9(8)6-13/h7-9H,3-6H2,1-2H3.
What are the key properties of 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole?
4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole has a molecular weight of 189.25 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-propan-2-yl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole is sourced from PubChem (CID 130612774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).