N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide

C8H14BrF2NO2S — CID 102638595

IUPACN-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1Br)S(=O)(=O)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c1-12(15(13,14)8(10)11)7-5-3-2-4-6(7)9/h6-8H,2-5H2,1H3
InChIKeyPHTPFORECVBTME-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.18
Rot. Bonds3

About N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide

N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide (PubChem CID 102638595) has the molecular formula C8H14BrF2NO2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide
PubChem CID102638595
Molecular FormulaC8H14BrF2NO2S
Molecular Weight306.17 g/mol
Exact Mass304.99
IUPAC NameN-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide
SMILESCN(C1CCCCC1Br)S(=O)(=O)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c1-12(15(13,14)8(10)11)7-5-3-2-4-6(7)9/h6-8H,2-5H2,1H3
InChIKeyPHTPFORECVBTME-UHFFFAOYSA-N
XLogP2.18
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide?
The IUPAC name of N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide (CID 102638595) is N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide is CN(C1CCCCC1Br)S(=O)(=O)C(F)F.
What is the InChIKey of N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide?
The InChIKey is PHTPFORECVBTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2S/c1-12(15(13,14)8(10)11)7-5-3-2-4-6(7)9/h6-8H,2-5H2,1H3.
What are the key properties of N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide?
N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-1,1-difluoro-N-methylmethanesulfonamide is sourced from PubChem (CID 102638595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).