tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate

C17H21F3N2O2 — CID 154111247

IUPACtert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1=Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H21F3N2O2/c1-16(2,3)24-15(23)22-14-6-4-5-11(14)9-13-8-7-12(10-21-13)17(18,19)20/h7-10,14H,4-6H2,1-3H3,(H,22,23)
InChIKeyRXFLPZRDHYEVLH-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.56
Rot. Bonds2

About tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate

tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate (PubChem CID 154111247) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate
PubChem CID154111247
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Nametert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1=Cc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C17H21F3N2O2/c1-16(2,3)24-15(23)22-14-6-4-5-11(14)9-13-8-7-12(10-21-13)17(18,19)20/h7-10,14H,4-6H2,1-3H3,(H,22,23)
InChIKeyRXFLPZRDHYEVLH-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamate
CID 123581888
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 67001614
tert-butyl N-[(1S)-2-(difluoromethylidene)cyclopentyl]carbamate
CID 129026517
tert-butyl N-(5,6,7,8-tetrahydroquinolin-5-yl)carbamate
CID 121334667
tert-butyl N-[(2S)-2-[[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]carbamate
CID 154946470
tert-butyl N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 170809960
tert-butyl N-[(1R)-3-(difluoromethylidene)cyclohexyl]carbamate
CID 171829556
tert-butyl N-[4-[(5R)-1-oxo-9-[5-(trifluoromethyl)-2-pyridinyl]-2,9-diazaspiro[4.5]decan-2-yl]cyclohexyl]carbamate
CID 58653338
tert-butyl N-[(3Z)-3-ethylidene-2-methylidenecyclohexyl]carbamate
CID 118155899
tert-butyl N-[(3S)-1-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]piperidin-3-yl]carbamate
CID 170267104
tert-butyl N-[2-chloro-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-5-yl]carbamate
CID 129078757

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate (CID 154111247) is tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1=Cc1ccc(C(F)(F)F)cn1.
What is the InChIKey of tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate?
The InChIKey is RXFLPZRDHYEVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c1-16(2,3)24-15(23)22-14-6-4-5-11(14)9-13-8-7-12(10-21-13)17(18,19)20/h7-10,14H,4-6H2,1-3H3,(H,22,23).
What are the key properties of tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate?
tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate has a molecular weight of 342.36 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[5-(trifluoromethyl)-2-pyridinyl]methylidene]cyclopentyl]carbamate is sourced from PubChem (CID 154111247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).