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

C8H14FN — CID 164561497

IUPAC1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole
SMILESCC1=CN(CCCF)CC1
InChIInChI=1S/C8H14FN/c1-8-3-6-10(7-8)5-2-4-9/h7H,2-6H2,1H3
InChIKeyWYYVJAGDULHSGU-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.96
Rot. Bonds3

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

1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole (PubChem CID 164561497) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole
PubChem CID164561497
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole
SMILESCC1=CN(CCCF)CC1
InChIInChI=1S/C8H14FN/c1-8-3-6-10(7-8)5-2-4-9/h7H,2-6H2,1H3
InChIKeyWYYVJAGDULHSGU-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Agn-PC-036ekc
CID 580168
1-Methyl-4-(trifluoromethyl)-2,3-dihydropyrrole
CID 123719750
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
1-Butyl-4-fluoro-2,3-dihydropyrrole
CID 169251520
4-fluoro-N-methyl-2-methylidene-N-propylbutan-1-amine
CID 169605942
(Z)-3-fluoro-N,N,2-trimethylbut-1-en-1-amine
CID 169625009
1-Fluoro-4-methyl-2,3-dihydropyrrole
CID 174889861
Pyrrolidine, 1-(2-methyl-1-butenyl)-
CID 5371407

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole?
The IUPAC name of 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole (CID 164561497) is 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole?
The canonical SMILES for 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole is CC1=CN(CCCF)CC1.
What is the InChIKey of 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole?
The InChIKey is WYYVJAGDULHSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-8-3-6-10(7-8)5-2-4-9/h7H,2-6H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole?
1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole has a molecular weight of 143.20 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-4-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 164561497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).