tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate

C14H18FNO2 — CID 72965497

IUPACtert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC1(F)c1ccccc1
InChIInChI=1S/C14H18FNO2/c1-13(2,3)18-12(17)16-11-9-14(11,15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyBBWQSXPDFWZIRH-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.15
Rot. Bonds2

About tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate

tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate (PubChem CID 72965497) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate
PubChem CID72965497
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC1(F)c1ccccc1
InChIInChI=1S/C14H18FNO2/c1-13(2,3)18-12(17)16-11-9-14(11,15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17)
InChIKeyBBWQSXPDFWZIRH-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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tert-butyl N-(2-phenylethyl)carbamate
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tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
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tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
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tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
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Carbamic acid, N-(alpha-methyl-m-trifluoromethylphenethyl)-, ethyl ester
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate (CID 72965497) is tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate is CC(C)(C)OC(=O)NC1CC1(F)c1ccccc1.
What is the InChIKey of tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate?
The InChIKey is BBWQSXPDFWZIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-13(2,3)18-12(17)16-11-9-14(11,15)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate?
tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate has a molecular weight of 251.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-2-phenylcyclopropyl)carbamate is sourced from PubChem (CID 72965497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).