2-methylpropyl N-(3-fluorophenyl)carbamate

C11H14FNO2 — CID 15908281

IUPAC2-methylpropyl N-(3-fluorophenyl)carbamate
SMILESCC(C)COC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-8(2)7-15-11(14)13-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyZNVPWZUUQQJWLS-UHFFFAOYSA-N
MW211.24 g/mol
LogP3.03
Rot. Bonds3

About 2-methylpropyl N-(3-fluorophenyl)carbamate

2-methylpropyl N-(3-fluorophenyl)carbamate (PubChem CID 15908281) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-methylpropyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(3-fluorophenyl)carbamate
PubChem CID15908281
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-methylpropyl N-(3-fluorophenyl)carbamate
SMILESCC(C)COC(=O)Nc1cccc(F)c1
InChIInChI=1S/C11H14FNO2/c1-8(2)7-15-11(14)13-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14)
InChIKeyZNVPWZUUQQJWLS-UHFFFAOYSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylpropyl N-[3-(methylamino)phenyl]carbamate
CID 71219513
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
2-methylpropyl 4-[1-(3-fluoroanilino)-1-oxopropan-2-yl]piperazine-1-carboxylate
CID 60555488
N-(3-fluorophenyl)-2-(2-methylpropoxy)benzamide
CID 54788403
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
2-azidoethyl N-(3-fluorophenyl)carbamate
CID 59667440
2-methylpropyl N-[3-(2-phenylethylcarbamoylamino)phenyl]carbamate
CID 60586505
2-methylpropyl N-(4-chloro-3-hydroxyphenyl)carbamate
CID 64786534
2-methylpropyl 4-(3-fluoroanilino)piperidine-1-carboxylate
CID 68797431

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 2-methylpropyl N-(3-fluorophenyl)carbamate (CID 15908281) is 2-methylpropyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(3-fluorophenyl)carbamate is CC(C)COC(=O)Nc1cccc(F)c1.
What is the InChIKey of 2-methylpropyl N-(3-fluorophenyl)carbamate?
The InChIKey is ZNVPWZUUQQJWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(2)7-15-11(14)13-10-5-3-4-9(12)6-10/h3-6,8H,7H2,1-2H3,(H,13,14).
What are the key properties of 2-methylpropyl N-(3-fluorophenyl)carbamate?
2-methylpropyl N-(3-fluorophenyl)carbamate has a molecular weight of 211.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 15908281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).