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

C10H18F3N — CID 169130853

IUPACmethane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC.C=C(C)N1CC[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N.CH4/c1-7(2)13-4-3-8(6-13)5-9(10,11)12;/h8H,1,3-6H2,2H3;1H4/t8-;/m0./s1
InChIKeyVWGDOMVTSGVPGA-QRPNPIFTSA-N
MW209.25 g/mol
LogP3.43
Rot. Bonds2

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

methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 169130853) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Namemethane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID169130853
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Namemethane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
SMILESC.C=C(C)N1CC[C@@H](CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N.CH4/c1-7(2)13-4-3-8(6-13)5-9(10,11)12;/h8H,1,3-6H2,2H3;1H4/t8-;/m0./s1
InChIKeyVWGDOMVTSGVPGA-QRPNPIFTSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.43
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
N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 166105305
3-Propan-2-yl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyrrolidine
CID 169975914
1-(3,3-Difluoroprop-1-en-2-yl)-4-ethylpiperidine
CID 169990046
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
(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 169130854

Frequently Asked Questions

What is the IUPAC name of methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine (CID 169130853) is methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine is C.C=C(C)N1CC[C@@H](CC(F)(F)F)C1.
What is the InChIKey of methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is VWGDOMVTSGVPGA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H14F3N.CH4/c1-7(2)13-4-3-8(6-13)5-9(10,11)12;/h8H,1,3-6H2,2H3;1H4/t8-;/m0./s1.
What are the key properties of methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine?
methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 209.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 169130853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).