3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine

C7H7F6N — CID 155262754

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine
SMILESFC(F)(F)C(=C1CCNC1)C(F)(F)F
InChIInChI=1S/C7H7F6N/c8-6(9,10)5(7(11,12)13)4-1-2-14-3-4/h14H,1-3H2
InChIKeyFFLODQRVFUOZRF-UHFFFAOYSA-N
MW219.13 g/mol
LogP2.40
Rot. Bonds

About 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine

3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine (PubChem CID 155262754) has the molecular formula C7H7F6N and a molecular weight of 219.13 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine
PubChem CID155262754
Molecular FormulaC7H7F6N
Molecular Weight219.13 g/mol
Exact Mass219.05
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine
SMILESFC(F)(F)C(=C1CCNC1)C(F)(F)F
InChIInChI=1S/C7H7F6N/c8-6(9,10)5(7(11,12)13)4-1-2-14-3-4/h14H,1-3H2
InChIKeyFFLODQRVFUOZRF-UHFFFAOYSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.13
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(Difluoromethylidene)pyrrolidine hydrochloride
CID 165951323
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole;hydrochloride
CID 155144953
3-(1,1,2,2,2-pentafluoroethyl)-2,5-dihydro-1H-pyrrole
CID 155144954
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160725
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160727
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160809
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine
CID 155160950
3-(Difluoromethylidene)pyrrolidine
CID 162535187
(3E)-3-(2,2,2-trifluoroethylidene)pyrrolidine;hydrochloride
CID 162691497
(3Z)-3-(2,2,2-trifluoroethylidene)pyrrolidine;hydrochloride
CID 162691510
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
CID 167395794
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
CID 167395813

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine (CID 155262754) is 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine is FC(F)(F)C(=C1CCNC1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine?
The InChIKey is FFLODQRVFUOZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6N/c8-6(9,10)5(7(11,12)13)4-1-2-14-3-4/h14H,1-3H2.
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine?
3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine has a molecular weight of 219.13 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)pyrrolidine is sourced from PubChem (CID 155262754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).