2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine

C15H19F4N — CID 107289065

IUPAC2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(c2ccc(C(F)(F)F)c(F)c2)CCCN1
InChIInChI=1S/C15H19F4N/c1-10(2)9-14(6-3-7-20-14)11-4-5-12(13(16)8-11)15(17,18)19/h4-5,8,10,20H,3,6-7,9H2,1-2H3
InChIKeyGZIIXDNHZSCFRH-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.47
Rot. Bonds3

About 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine

2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine (PubChem CID 107289065) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine
PubChem CID107289065
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine
SMILESCC(C)CC1(c2ccc(C(F)(F)F)c(F)c2)CCCN1
InChIInChI=1S/C15H19F4N/c1-10(2)9-14(6-3-7-20-14)11-4-5-12(13(16)8-11)15(17,18)19/h4-5,8,10,20H,3,6-7,9H2,1-2H3
InChIKeyGZIIXDNHZSCFRH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propylazepane
CID 107289102
2-(2-methylpropyl)-2-(3-propylphenyl)pyrrolidine
CID 116544640
2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine
CID 66465627
2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
CID 66465325
(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 124570451
2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 104688068
1-[3-fluoro-4-(trifluoromethyl)phenyl]-4-propan-2-ylcyclohexan-1-amine
CID 107288007
2-(3,4-difluorophenyl)-2-propylazepane
CID 79117432
1-[3-fluoro-4-(trifluoromethyl)phenyl]-3-propan-2-ylcyclobutan-1-ol
CID 107287922
[3-fluoro-4-(trifluoromethyl)phenyl]-(2-methylpiperidin-2-yl)methanone
CID 107291161
2-ethyl-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107287864
2-[4-methoxy-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine
CID 117401425

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine?
The IUPAC name of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine (CID 107289065) is 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine is CC(C)CC1(c2ccc(C(F)(F)F)c(F)c2)CCCN1.
What is the InChIKey of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine?
The InChIKey is GZIIXDNHZSCFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-10(2)9-14(6-3-7-20-14)11-4-5-12(13(16)8-11)15(17,18)19/h4-5,8,10,20H,3,6-7,9H2,1-2H3.
What are the key properties of 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine?
2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine has a molecular weight of 289.32 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(trifluoromethyl)phenyl]-2-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 107289065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).