(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine

C10H16F3N — CID 176975290

IUPAC(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C(CC)N1CCC[C@@H]1CC(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-8(2)14-6-4-5-9(14)7-10(11,12)13/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyHZSPWFOJKMKDFQ-SECBINFHSA-N
MW207.24 g/mol
LogP3.33
Rot. Bonds3

About (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine

(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 176975290) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID176975290
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C(CC)N1CCC[C@@H]1CC(F)(F)F
InChIInChI=1S/C10H16F3N/c1-3-8(2)14-6-4-5-9(14)7-10(11,12)13/h9H,2-7H2,1H3/t9-/m1/s1
InChIKeyHZSPWFOJKMKDFQ-SECBINFHSA-N
XLogP3.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-2-methyl-1-prop-1-en-2-ylpyrrolidine
CID 143430697
4-(4,4-Difluoro-2-methylidenepyrrolidin-1-yl)-1-methylpiperidine
CID 154026249
1-Prop-1-en-2-yl-2-(trifluoromethyl)pyrrolidine
CID 164168515
1-(4,4-Dimethylpent-1-en-2-yl)-2-methylidene-5-(trifluoromethyl)pyrrolidine
CID 170016412
1-But-1-en-2-yl-3,3-difluoropyrrolidine
CID 170642143
2-Methylidene-1-propan-2-yl-6-(trifluoromethyl)piperidine
CID 171846003
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
CID 177054045
(2R)-2-methyl-1-pent-1-en-2-ylpyrrolidine
CID 134853961
(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
CID 134863512
CID 164672054
CID 164672054
N-(2,2-difluoroethyl)-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]but-3-en-1-amine
CID 169170818
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine
CID 177054046

Frequently Asked Questions

What is the IUPAC name of (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine (CID 176975290) is (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine is C=C(CC)N1CCC[C@@H]1CC(F)(F)F.
What is the InChIKey of (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is HZSPWFOJKMKDFQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H16F3N/c1-3-8(2)14-6-4-5-9(14)7-10(11,12)13/h9H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine?
(2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 207.24 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-but-1-en-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 176975290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).