(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine

C9H13F2N — CID 155055075

IUPAC(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine
SMILESC=C/C(C)=C1\N(C)CCC1(F)F
InChIInChI=1S/C9H13F2N/c1-4-7(2)8-9(10,11)5-6-12(8)3/h4H,1,5-6H2,2-3H3/b8-7-
InChIKeyNSBJEQTVXPQBNQ-FPLPWBNLSA-N
MW173.21 g/mol
LogP2.42
Rot. Bonds1

About (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine

(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine (PubChem CID 155055075) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine
PubChem CID155055075
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine
SMILESC=C/C(C)=C1\N(C)CCC1(F)F
InChIInChI=1S/C9H13F2N/c1-4-7(2)8-9(10,11)5-6-12(8)3/h4H,1,5-6H2,2-3H3/b8-7-
InChIKeyNSBJEQTVXPQBNQ-FPLPWBNLSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine?
The IUPAC name of (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine (CID 155055075) is (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine.
What is the SMILES notation for (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine?
The canonical SMILES for (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine is C=C/C(C)=C1\N(C)CCC1(F)F.
What is the InChIKey of (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine?
The InChIKey is NSBJEQTVXPQBNQ-FPLPWBNLSA-N. The full InChI is InChI=1S/C9H13F2N/c1-4-7(2)8-9(10,11)5-6-12(8)3/h4H,1,5-6H2,2-3H3/b8-7-.
What are the key properties of (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine?
(2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine has a molecular weight of 173.21 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-but-3-en-2-ylidene-3,3-difluoro-1-methylpyrrolidine is sourced from PubChem (CID 155055075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).