2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine

C14H18F3N — CID 118329262

IUPAC2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H18F3N/c1-12(2,3)13(6-7-13)8-11-5-4-10(9-18-11)14(15,16)17/h4-5,9H,6-8H2,1-3H3
InChIKeyUWNLDDHRNAADIU-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.47
Rot. Bonds2

About 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine

2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine (PubChem CID 118329262) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine
PubChem CID118329262
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine
SMILESCC(C)(C)C1(Cc2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C14H18F3N/c1-12(2,3)13(6-7-13)8-11-5-4-10(9-18-11)14(15,16)17/h4-5,9H,6-8H2,1-3H3
InChIKeyUWNLDDHRNAADIU-UHFFFAOYSA-N
XLogP4.47
TPSA12.89 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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 176896908
N-methyl-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclobutan-1-amine
CID 156720665
4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexan-1-amine
CID 73439156
2-(cyclopenta-1,3-dien-1-ylmethyl)-5-(trifluoromethyl)pyridine
CID 133080561
1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-ol
CID 63201095
1,1-dimethyl-2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]hydrazine
CID 171822832
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
3-(cyclohexylamino)-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 58374277
(3S)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977238
(3R)-3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 124977237
3-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-1-oxa-8-azaspiro[4.5]decane
CID 110131042
trans-(1R,2R)-4,4-difluoro-2-[[5-(trifluoromethyl)-2-pyridinyl]methylamino]cyclopentan-1-ol
CID 168750366

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine (CID 118329262) is 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine is CC(C)(C)C1(Cc2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine?
The InChIKey is UWNLDDHRNAADIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-12(2,3)13(6-7-13)8-11-5-4-10(9-18-11)14(15,16)17/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine?
2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine has a molecular weight of 257.30 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylcyclopropyl)methyl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 118329262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).