1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole

C6H8F3N — CID 123719750

IUPAC1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCN1C=C(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3N/c1-10-3-2-5(4-10)6(7,8)9/h4H,2-3H2,1H3
InChIKeyVVWOKEQMHJFMMC-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.77
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole

1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole (PubChem CID 123719750) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
PubChem CID123719750
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
SMILESCN1C=C(C(F)(F)F)CC1
InChIInChI=1S/C6H8F3N/c1-10-3-2-5(4-10)6(7,8)9/h4H,2-3H2,1H3
InChIKeyVVWOKEQMHJFMMC-UHFFFAOYSA-N
XLogP1.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2-trifluoro-3-methyl-N,N-bis(trifluoromethyl)but-3-en-1-amine
CID 124118226
1,2,2-trifluoro-N,3-dimethyl-N-(trifluoromethyl)but-3-en-1-amine
CID 134531029
4-(Difluoromethyl)-1-methyl-2,3-dihydropyrrole
CID 150920860
4-Fluoro-1-methyl-2,3-dihydropyrrole
CID 154572373
(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
CID 156509220
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
4-Methyl-1-(2,2,2-trifluoroethyl)-2,3-dihydropyrrole
CID 168993435
(Z)-3-fluoro-N,N,2-trimethylbut-1-en-1-amine
CID 169625009
1-Fluoro-4-methyl-2,3-dihydropyrrole
CID 174889861
1,4-Dimethyl-3-(trifluoromethyl)-2,3-dihydropyrrole
CID 162586938
1-(3-Fluoropropyl)-4-methyl-2,3-dihydropyrrole
CID 164561497
1-Ethyl-4-methyl-2,3-dihydropyrrole
CID 22419349

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole (CID 123719750) is 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole is CN1C=C(C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole?
The InChIKey is VVWOKEQMHJFMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c1-10-3-2-5(4-10)6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole?
1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole has a molecular weight of 151.13 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)-2,3-dihydropyrrole is sourced from PubChem (CID 123719750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).