(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine

C9H14F3N — CID 169130854

IUPAC(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C(C)N1CC[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-7(2)13-4-3-8(6-13)5-9(10,11)12/h8H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyQJYDMIAXKNGERA-QMMMGPOBSA-N
MW193.21 g/mol
LogP2.79
Rot. Bonds2

About (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine

(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 169130854) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID169130854
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC=C(C)N1CC[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-7(2)13-4-3-8(6-13)5-9(10,11)12/h8H,1,3-6H2,2H3/t8-/m0/s1
InChIKeyQJYDMIAXKNGERA-QMMMGPOBSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,3-Difluoroprop-1-en-2-yl)-3-ethyl-4-propan-2-ylpyrrolidine
CID 117878252
4,4-Difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
CID 142433939
4-Ethyl-3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
CID 156329290
1-Prop-1-en-2-yl-2-(trifluoromethyl)pyrrolidine
CID 164168515
1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine
CID 165128792
methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 169130853
3-Propan-2-yl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyrrolidine
CID 169975914
3,3-Difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
CID 170642221
1-(4,4-Difluorobut-1-en-2-yl)-3-methylpyrrolidine
CID 170768263
1-(3,3-Difluorobut-1-en-2-yl)-2,3-dimethylpyrrolidine;ethane
CID 177054045
4,4-Difluoro-2-(2-methylpropyl)-1-prop-1-en-2-ylpyrrolidine
CID 148589536
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 159621822

Frequently Asked Questions

What is the IUPAC name of (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine (CID 169130854) is (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine is C=C(C)N1CC[C@@H](CC(F)(F)F)C1.
What is the InChIKey of (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is QJYDMIAXKNGERA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(2)13-4-3-8(6-13)5-9(10,11)12/h8H,1,3-6H2,2H3/t8-/m0/s1.
What are the key properties of (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 193.21 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 169130854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).