tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate

C14H18FNO2 — CID 130848962

IUPACtert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-10-6-7-12(15)11(8-10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyNEPYEMDGHYVUGI-UHFFFAOYSA-N
MW251.30 g/mol
LogP4.05
Rot. Bonds2

About tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate

tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate (PubChem CID 130848962) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
PubChem CID130848962
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Nametert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(F)c(C2CC2)c1
InChIInChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-10-6-7-12(15)11(8-10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17)
InChIKeyNEPYEMDGHYVUGI-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[3-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-4-fluorophenyl]carbamate
CID 178197079
tert-butyl N-[3-(3,3-difluoro-5-methyl-6-sulfanylidenepiperidin-2-yl)-4-fluorophenyl]carbamate
CID 126591085
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
tert-butyl N-[3-[(1,1-dioxothiolan-3-yl)amino]-4-fluorophenyl]carbamate
CID 107241040
2-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 125456654
trifluoro-[2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boranuide
CID 86810523
tert-butyl N-(6-cyclopropyl-3-pyridinyl)carbamate
CID 130731444
tert-butyl N-[1-[(2-methylpropan-2-yl)oxyamino]-2,3-dihydro-1H-inden-5-yl]carbamate
CID 103867686
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679
tert-butyl N-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)carbamate
CID 134368267
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]cyclohexane-1-carboxylate
CID 177318406
tert-butyl N-[2-fluoro-4-(4-methylcyclohexyl)phenyl]carbamate
CID 90960498

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate?
The IUPAC name of tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate (CID 130848962) is tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate is CC(C)(C)OC(=O)Nc1ccc(F)c(C2CC2)c1.
What is the InChIKey of tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate?
The InChIKey is NEPYEMDGHYVUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-14(2,3)18-13(17)16-10-6-7-12(15)11(8-10)9-4-5-9/h6-9H,4-5H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate?
tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate has a molecular weight of 251.30 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-cyclopropyl-4-fluorophenyl)carbamate is sourced from PubChem (CID 130848962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).