[1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate

C14H17F2NO2 — CID 171472893

IUPAC[1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C14H17F2NO2/c1-13(2,3)17-12(18)19-14(4-5-14)9-6-10(15)8-11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyYWLMGIKQHXEHSB-UHFFFAOYSA-N
MW269.29 g/mol
LogP3.48
Rot. Bonds2

About [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate

[1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate (PubChem CID 171472893) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate
PubChem CID171472893
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name[1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1(c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C14H17F2NO2/c1-13(2,3)17-12(18)19-14(4-5-14)9-6-10(15)8-11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyYWLMGIKQHXEHSB-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate?
The IUPAC name of [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate (CID 171472893) is [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate?
The canonical SMILES for [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1(c2cc(F)cc(F)c2)CC1.
What is the InChIKey of [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate?
The InChIKey is YWLMGIKQHXEHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c1-13(2,3)17-12(18)19-14(4-5-14)9-6-10(15)8-11(16)7-9/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate?
[1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate has a molecular weight of 269.29 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-difluorophenyl)cyclopropyl] N-tert-butylcarbamate is sourced from PubChem (CID 171472893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).