4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine

C10H17F2N — CID 176919360

IUPAC4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
SMILESCCCC1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C10H17F2N/c1-4-5-10(2)6-8(9(11)12)7-13(10)3/h4-7H2,1-3H3
InChIKeyMZJHUIVRRFTKEE-UHFFFAOYSA-N
MW189.25 g/mol
LogP3.03
Rot. Bonds2

About 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine

4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine (PubChem CID 176919360) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine.

Molecular Properties

Compound Name4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
PubChem CID176919360
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine
SMILESCCCC1(C)CC(=C(F)F)CN1C
InChIInChI=1S/C10H17F2N/c1-4-5-10(2)6-8(9(11)12)7-13(10)3/h4-7H2,1-3H3
InChIKeyMZJHUIVRRFTKEE-UHFFFAOYSA-N
XLogP3.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(Difluoromethylidene)-1,2-di(propan-2-yl)pyrrolidine
CID 130232269
4-(Difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine
CID 130250105
(3R)-1-tert-butyl-3-(1,1-difluoropent-4-enyl)pyrrolidine
CID 151270858
6-(difluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614752
(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875954
6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166984254
2-Ethyl-2-(1-fluoroethenyl)-1-methylpyrrolidine
CID 169130391
6-(difluoromethylidene)-8-propyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 169182002
6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 170274754
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
CID 170622490
(8R)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 172288069
(2R)-4-(difluoromethylidene)-2-ethyl-1,2-dimethylpyrrolidine
CID 172288850

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
The IUPAC name of 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine (CID 176919360) is 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine.
What is the SMILES notation for 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
The canonical SMILES for 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine is CCCC1(C)CC(=C(F)F)CN1C.
What is the InChIKey of 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
The InChIKey is MZJHUIVRRFTKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-4-5-10(2)6-8(9(11)12)7-13(10)3/h4-7H2,1-3H3.
What are the key properties of 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine?
4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine has a molecular weight of 189.25 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethylidene)-1,2-dimethyl-2-propylpyrrolidine is sourced from PubChem (CID 176919360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).