1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine

C14H18F3N — CID 130196319

IUPAC1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)c1ccc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C14H18F3N/c1-10(2)12-6-5-11(14(15,16)17)9-13(12)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyFUGSYANUOFYQQK-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.43
Rot. Bonds2

About 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine

1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 130196319) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID130196319
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
SMILESCC(C)c1ccc(C(F)(F)F)cc1N1CCCC1
InChIInChI=1S/C14H18F3N/c1-10(2)12-6-5-11(14(15,16)17)9-13(12)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyFUGSYANUOFYQQK-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-3-[2-propan-2-yl-5-(trifluoromethyl)phenyl]-1,3-diazinane
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3-[2-(4-chloro-2-pyrrolidin-1-ylphenyl)propyl]-1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine
CID 130196361
1-[2-prop-1-ynyl-5-(trifluoromethyl)phenyl]pyrrolidine
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1-[2-ethynyl-5-(trifluoromethyl)phenyl]piperidine
CID 169489204
1-methyl-4-[2-methyl-5-(trifluoromethyl)phenyl]piperazine
CID 70812559
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]ethanamine
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1-[2-nitro-5-(trifluoromethyl)phenyl]pyrrolidine
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CID 167493286
CID 167493286

Frequently Asked Questions

What is the IUPAC name of 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine (CID 130196319) is 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine is CC(C)c1ccc(C(F)(F)F)cc1N1CCCC1.
What is the InChIKey of 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is FUGSYANUOFYQQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-10(2)12-6-5-11(14(15,16)17)9-13(12)18-7-3-4-8-18/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine?
1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 257.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 130196319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).