2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline

C14H16F3N — CID 167830768

IUPAC2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)C1(CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(6-7-13)10-18-8-5-11-3-1-2-4-12(11)9-18/h1-4H,5-10H2
InChIKeyWHALGSGRFKDVLO-UHFFFAOYSA-N
MW255.28 g/mol
LogP3.39
Rot. Bonds2

About 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline

2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline (PubChem CID 167830768) has the molecular formula C14H16F3N and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline
PubChem CID167830768
Molecular FormulaC14H16F3N
Molecular Weight255.28 g/mol
Exact Mass255.12
IUPAC Name2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline
SMILESFC(F)(F)C1(CN2CCc3ccccc3C2)CC1
InChIInChI=1S/C14H16F3N/c15-14(16,17)13(6-7-13)10-18-8-5-11-3-1-2-4-12(11)9-18/h1-4H,5-10H2
InChIKeyWHALGSGRFKDVLO-UHFFFAOYSA-N
XLogP3.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline with MolForge

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Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)cyclopentan-1-ol
CID 65212502
2-(3,3,3-trifluoropropyl)-3,4-dihydro-1H-isoquinoline
CID 102386513
2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindole
CID 175938518
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
CID 82767653
[1-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)cyclopropyl]methanamine
CID 115453899
[1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopropyl]methanamine
CID 84793998
2-[(4-fluorophenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 3353508
2-amino-1-[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]ethanone
CID 127248082
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclohexan-1-amine
CID 64678711
(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1-ethylsulfonylpyrrolidin-3-ol
CID 124964703
2-[[1-(trifluoromethyl)cyclobutyl]methyl]spiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-6-ol
CID 167764645

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline (CID 167830768) is 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline is FC(F)(F)C1(CN2CCc3ccccc3C2)CC1.
What is the InChIKey of 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline?
The InChIKey is WHALGSGRFKDVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N/c15-14(16,17)13(6-7-13)10-18-8-5-11-3-1-2-4-12(11)9-18/h1-4H,5-10H2.
What are the key properties of 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline?
2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline has a molecular weight of 255.28 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 167830768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).