[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid

C11H12ClF2NO3 — CID 146662746

IUPAC[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid
SMILESC[C@H](COc1c(F)cc(F)cc1CCl)NC(=O)O
InChIInChI=1S/C11H12ClF2NO3/c1-6(15-11(16)17)5-18-10-7(4-12)2-8(13)3-9(10)14/h2-3,6,15H,4-5H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyFZXLQGHQBYOWBM-ZCFIWIBFSA-N
MW279.67 g/mol
LogP2.74
Rot. Bonds5

About [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid

[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid (PubChem CID 146662746) has the molecular formula C11H12ClF2NO3 and a molecular weight of 279.67 g/mol. Its IUPAC name is [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid
PubChem CID146662746
Molecular FormulaC11H12ClF2NO3
Molecular Weight279.67 g/mol
Exact Mass279.05
IUPAC Name[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid
SMILESC[C@H](COc1c(F)cc(F)cc1CCl)NC(=O)O
InChIInChI=1S/C11H12ClF2NO3/c1-6(15-11(16)17)5-18-10-7(4-12)2-8(13)3-9(10)14/h2-3,6,15H,4-5H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeyFZXLQGHQBYOWBM-ZCFIWIBFSA-N
XLogP2.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.67
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(4-bromo-3,5-difluorophenoxy)propan-2-yl]carbamic acid
CID 67778385
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
[(2S)-1-(4-hydroxyphenoxy)propan-2-yl]carbamic acid
CID 90097336
4-(2,4,5-trifluorophenyl)butan-2-ylcarbamic acid
CID 90734315
1-[(7-fluoro-2-formyl-2,3-dihydro-1H-inden-5-yl)oxy]propan-2-ylcarbamic acid
CID 166759574
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
N-(1-chloropropan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114299394
3,5-difluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 82915058
2,2,2-trifluoro-N-[1-(4-hydroxy-2,6-dimethylphenoxy)propan-2-yl]acetamide
CID 586542
ethyl 2-[2-(chloromethyl)-3,5-difluorophenyl]acetate
CID 171019310
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
[(2S)-1-(trifluoromethoxy)propan-2-yl]carbamic acid
CID 146452761

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid (CID 146662746) is [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid is C[C@H](COc1c(F)cc(F)cc1CCl)NC(=O)O.
What is the InChIKey of [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid?
The InChIKey is FZXLQGHQBYOWBM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12ClF2NO3/c1-6(15-11(16)17)5-18-10-7(4-12)2-8(13)3-9(10)14/h2-3,6,15H,4-5H2,1H3,(H,16,17)/t6-/m1/s1.
What are the key properties of [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid?
[(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid has a molecular weight of 279.67 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[2-(chloromethyl)-4,6-difluorophenoxy]propan-2-yl]carbamic acid is sourced from PubChem (CID 146662746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).