tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate

C14H18FNO3 — CID 117421544

IUPACtert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(O)CC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-13(2,3)19-12(17)16-11-8-9(4-5-10(11)15)14(18)6-7-14/h4-5,8,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyKAWIGTQDYMRLNF-UHFFFAOYSA-N
MW267.30 g/mol
LogP3.15
Rot. Bonds2

About tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate

tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate (PubChem CID 117421544) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
PubChem CID117421544
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Nametert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(C2(O)CC2)ccc1F
InChIInChI=1S/C14H18FNO3/c1-13(2,3)19-12(17)16-11-8-9(4-5-10(11)15)14(18)6-7-14/h4-5,8,18H,6-7H2,1-3H3,(H,16,17)
InChIKeyKAWIGTQDYMRLNF-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-chloro-5-(1-hydroxycyclopropyl)phenyl]carbamate
CID 117117411
tert-butyl N-[2-fluoro-5-(1-isocyanatocyclobutyl)phenyl]carbamate
CID 117491538
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-[5-(aminomethyl)-2-fluorophenyl]carbamate
CID 84701954
tert-butyl N-[2-fluoro-5-[1-(1-methylcyclopropyl)ethylamino]phenyl]carbamate
CID 107240614
tert-butyl N-(2-fluoro-5-methylsulfonylphenyl)carbamate
CID 65143064
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-oxoacetic acid
CID 117455185
tert-butyl N-[2-fluoro-5-(propylamino)phenyl]carbamate
CID 107240581
2-[4-fluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117426191
tert-butyl N-[2-fluoro-5-(prop-2-ynylamino)phenyl]carbamate
CID 107240618
tert-butyl N-[2-fluoro-5-(3-oxopropyl)phenyl]carbamate
CID 117421608
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate (CID 117421544) is tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(C2(O)CC2)ccc1F.
What is the InChIKey of tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
The InChIKey is KAWIGTQDYMRLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-13(2,3)19-12(17)16-11-8-9(4-5-10(11)15)14(18)6-7-14/h4-5,8,18H,6-7H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate?
tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate has a molecular weight of 267.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-fluoro-5-(1-hydroxycyclopropyl)phenyl]carbamate is sourced from PubChem (CID 117421544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).