N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride

C11H12FNO — CID 90147743

IUPACN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
SMILESO=C(F)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C11H12FNO/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,13,14)/t10-/m1/s1
InChIKeyAPMZTOZJKPJRMR-SNVBAGLBSA-N
MW193.22 g/mol
LogP2.74
Rot. Bonds1

About N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride

N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride (PubChem CID 90147743) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride.

Molecular Properties

Compound NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
PubChem CID90147743
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC NameN-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
SMILESO=C(F)N[C@@H]1CCCc2ccccc21
InChIInChI=1S/C11H12FNO/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,13,14)/t10-/m1/s1
InChIKeyAPMZTOZJKPJRMR-SNVBAGLBSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]cyclopropanecarboxamide
CID 7688429
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
3-bromo-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 69220088
1-cyclobutyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 115617814
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
1-(2-hydroxyethyl)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 21393473
3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)oxetane-3-carboxamide
CID 146022448
1-(4-fluorophenyl)-3-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848239
1-(4-fluorophenyl)-3-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 26848241
4-bromo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2450710
cis-(1R,2S)-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124670671

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride?
The IUPAC name of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride (CID 90147743) is N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride.
What is the SMILES notation for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride?
The canonical SMILES for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride is O=C(F)N[C@@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride?
The InChIKey is APMZTOZJKPJRMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H12FNO/c12-11(14)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,13,14)/t10-/m1/s1.
What are the key properties of N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride?
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride has a molecular weight of 193.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride is sourced from PubChem (CID 90147743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).