3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate

C12H14F4N2O2 — CID 136548083

IUPAC3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate
SMILESO=C(NCCc1ccc(C(F)(F)F)cn1)OCCCF
InChIInChI=1S/C12H14F4N2O2/c13-5-1-7-20-11(19)17-6-4-10-3-2-9(8-18-10)12(14,15)16/h2-3,8H,1,4-7H2,(H,17,19)
InChIKeyNZQVLSFZIPSZBE-UHFFFAOYSA-N
MW294.25 g/mol
LogP2.73
Rot. Bonds6

About 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate

3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate (PubChem CID 136548083) has the molecular formula C12H14F4N2O2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Name3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate
PubChem CID136548083
Molecular FormulaC12H14F4N2O2
Molecular Weight294.25 g/mol
Exact Mass294.10
IUPAC Name3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate
SMILESO=C(NCCc1ccc(C(F)(F)F)cn1)OCCCF
InChIInChI=1S/C12H14F4N2O2/c13-5-1-7-20-11(19)17-6-4-10-3-2-9(8-18-10)12(14,15)16/h2-3,8H,1,4-7H2,(H,17,19)
InChIKeyNZQVLSFZIPSZBE-UHFFFAOYSA-N
XLogP2.73
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 154512497
2-(trifluoromethyl)-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]benzamide
CID 44602648
4-[5-(trifluoromethyl)-2-pyridinyl]butan-2-one
CID 12035528
N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazin-2-amine
CID 136577677
1-propyl-N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]pyrazole-3-carboxamide
CID 166262738
N-(4-aminobutyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113368697
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propan-1-amine
CID 22175085
1-[[5-(trifluoromethyl)-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 176896908
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N'-(2-methoxyethyl)-N'-[[5-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
CID 169111998
N-[3-(2-chloroethoxy)propyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 106306680
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-4-(2-methoxyethoxy)phenyl]propyl N-(3-methoxypropyl)carbamate
CID 86617748

Frequently Asked Questions

What is the IUPAC name of 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate?
The IUPAC name of 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate (CID 136548083) is 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate.
What is the SMILES notation for 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate?
The canonical SMILES for 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate is O=C(NCCc1ccc(C(F)(F)F)cn1)OCCCF.
What is the InChIKey of 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate?
The InChIKey is NZQVLSFZIPSZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2O2/c13-5-1-7-20-11(19)17-6-4-10-3-2-9(8-18-10)12(14,15)16/h2-3,8H,1,4-7H2,(H,17,19).
What are the key properties of 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate?
3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate has a molecular weight of 294.25 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropyl N-[2-[5-(trifluoromethyl)-2-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 136548083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).