2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate

C11H10ClF4NO3 — CID 795112

IUPAC2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C11H10ClF4NO3/c1-19-8-3-2-6(4-7(8)12)17-10(18)20-5-11(15,16)9(13)14/h2-4,9H,5H2,1H3,(H,17,18)
InChIKeyWLVXKHLUGUXRLY-UHFFFAOYSA-N
MW315.65 g/mol
LogP3.80
Rot. Bonds5

About 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate

2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate (PubChem CID 795112) has the molecular formula C11H10ClF4NO3 and a molecular weight of 315.65 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate
PubChem CID795112
Molecular FormulaC11H10ClF4NO3
Molecular Weight315.65 g/mol
Exact Mass315.03
IUPAC Name2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCC(F)(F)C(F)F)cc1Cl
InChIInChI=1S/C11H10ClF4NO3/c1-19-8-3-2-6(4-7(8)12)17-10(18)20-5-11(15,16)9(13)14/h2-4,9H,5H2,1H3,(H,17,18)
InChIKeyWLVXKHLUGUXRLY-UHFFFAOYSA-N
XLogP3.80
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.65
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl N-(3-chloro-4-methoxyphenyl)carbamate
CID 19174402
ethyl N-[4-(3-chloro-4-methoxyanilino)phenyl]carbamate
CID 112987218
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
(2R)-2-amino-N-(3-chloro-4-methoxyphenyl)-3,3-dimethylbutanamide
CID 103928285
N'-(3-chloro-4-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108955403
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805
N-(3-chloro-4-methoxyphenyl)-4-(difluoromethylsulfanyl)benzamide
CID 24616144
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
ethyl N-(3-chloro-4-propan-2-yloxyphenyl)carbamate
CID 60747816
1-(3-chloro-4-methoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2632843
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108501268

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate?
The IUPAC name of 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate (CID 795112) is 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate.
What is the SMILES notation for 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate?
The canonical SMILES for 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCC(F)(F)C(F)F)cc1Cl.
What is the InChIKey of 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate?
The InChIKey is WLVXKHLUGUXRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF4NO3/c1-19-8-3-2-6(4-7(8)12)17-10(18)20-5-11(15,16)9(13)14/h2-4,9H,5H2,1H3,(H,17,18).
What are the key properties of 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate?
2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate has a molecular weight of 315.65 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoropropyl N-(3-chloro-4-methoxyphenyl)carbamate is sourced from PubChem (CID 795112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).