(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine

C7H11F2N — CID 89209700

IUPAC(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine
SMILESC/C=C1\CC(F)(F)CN1C
InChIInChI=1S/C7H11F2N/c1-3-6-4-7(8,9)5-10(6)2/h3H,4-5H2,1-2H3/b6-3+
InChIKeyAZFHCTCDUOGYQQ-ZZXKWVIFSA-N
MW147.17 g/mol
LogP1.86
Rot. Bonds

About (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine

(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine (PubChem CID 89209700) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine
PubChem CID89209700
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine
SMILESC/C=C1\CC(F)(F)CN1C
InChIInChI=1S/C7H11F2N/c1-3-6-4-7(8,9)5-10(6)2/h3H,4-5H2,1-2H3/b6-3+
InChIKeyAZFHCTCDUOGYQQ-ZZXKWVIFSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrole, 4,5-dihydro-1-methyl-2-(trifluoromethyl)-
CID 591653
(e)-4-Pyrrolidino-3-heptene
CID 11789592
2-Ethylidene-1-methylpyrrolidine
CID 56995163
1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
CID 129271802
3,3-Difluoro-1,2,5,6-tetrahydropyrrolizine
CID 140263428
4,4-Difluoro-1-methyl-2-methylidenepyrrolidine
CID 146609473
(2R)-2-fluoro-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 162765805
2-fluoro-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 162765862
N-methyl-N-(trifluoromethyl)cyclopenten-1-amine
CID 163952916
2-(trifluoromethyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 164521799
2,2-Difluoro-1,3,5,6-tetrahydropyrrolizine
CID 165405920
N-ethyl-N-(trifluoromethyl)cyclopenten-1-amine
CID 166661115

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine?
The IUPAC name of (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine (CID 89209700) is (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine.
What is the SMILES notation for (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine?
The canonical SMILES for (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine is C/C=C1\CC(F)(F)CN1C.
What is the InChIKey of (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine?
The InChIKey is AZFHCTCDUOGYQQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-6-4-7(8,9)5-10(6)2/h3H,4-5H2,1-2H3/b6-3+.
What are the key properties of (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine?
(2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine has a molecular weight of 147.17 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-4,4-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 89209700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).